15 14 0 0 0 0 0 0 0 0 1 V2000 6.9000 -2.7792 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000025 > ALDRICH > 209015 > FLUKA > 76045 > - > - > 16248018 $$$$ 56 57 0 0 0 0 0 0 0 0 1 V2000 -5.6286 3.5900 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -5.5427 2.4299 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6898 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 3.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6898 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 1.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -3.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -1.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -3.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 4 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 11 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 14 2 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 21 1 0 22 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 29 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 32 2 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 39 1 0 40 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 47 51 2 0 50 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 56 50 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013310 > ALDRICH > 328774 > - > - > - > - > 16248018 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4118 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 2 1 1 0 0 0 2 3 3 0 0 0 4 5 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00016282 > ALDRICH > 398292 > - > - > - > - > 16248018 $$$$ 41 44 0 0 0 0 0 0 0 0 1 V2000 -1.9323 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9948 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9948 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 3 2 0 0 0 1 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 1 1 0 0 0 4 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 4 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 25 2 0 0 0 23 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 23 1 0 0 0 26 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 26 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009593 > ALDRICH > 412740 > FLUKA > 15253 > - > - > 16248018 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -0.1447 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012453 > ALDRICH > 379875 > FLUKA > 76044 > - > - > 16248018 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -0.1447 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012453 > ALDRICH > 205869 > FLUKA > 76044 > - > - > 16248018 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -0.1447 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012453 > ALDRICH > 520764 > FLUKA > 76044 > - > - > 16248018 $$$$ 41 44 0 0 0 0 0 0 0 0 1 V2000 -1.9323 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9948 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9948 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 3 2 0 0 0 1 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 1 1 0 0 0 4 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 4 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 25 2 0 0 0 23 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 23 1 0 0 0 26 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 26 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009593 > ALDRICH > 208671 > FLUKA > 15253 > - > - > 16248018 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 6.9000 -2.7792 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000025 > ALDRICH > 683388 > FLUKA > 76045 > - > - > 16248018 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -0.1447 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012453 > ALDRICH > 683124 > FLUKA > 76044 > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3744 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011171 > ALDRICH > 464678 > - > - > - > - > 16248018 $$$$ 31 32 0 0 0 0 0 0 0 0 1 V2000 5.7692 -3.2448 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.2496 -3.5448 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1934 -2.8205 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7566 -1.7994 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.4469 -2.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7372 -2.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 -3.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8276 -3.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 -2.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4663 -1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3566 -1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 -2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2566 -2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 -1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2566 -1.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 -1.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -4.7831 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6376 -4.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2062 -4.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5188 -3.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 -3.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6630 -3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3504 -3.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -4.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 -4.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8135 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4126 -5.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6123 -5.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 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0 0 0 7.6624 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 28 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 28 1 0 0 0 0 8 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 40 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 47 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 47 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 59 1 0 0 0 0 59 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 67 1 0 0 0 0 66 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 77 66 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010012 > ALDRICH > 216666 > FLUKA > 87645 > - > - > 16248018 $$$$ 43 44 0 0 0 0 0 0 0 0 1 V2000 0.6273 0.0221 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.2895 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 0.9310 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 0.2190 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 1.0370 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 1.1394 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.2202 1.4287 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.6366 0.7797 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.2681 1.1804 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.8116 0.7856 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.8656 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -0.9294 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 -1.0950 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.1772 -0.8057 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.5936 -1.4547 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.2252 -1.0540 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.7686 -1.4488 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.3525 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9968 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1182 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1182 -2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1265 -1.3365 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -0.6245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1265 -2.1615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 8 10 1 0 0 0 9 10 1 0 0 0 5 9 1 0 0 0 5 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 5 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 28 1 0 0 0 27 23 1 0 0 0 23 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 29 34 1 0 0 0 23 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 35 40 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 M RAD 1 6 2 M RAD 1 7 2 M RAD 1 8 2 M RAD 1 9 2 M RAD 1 10 2 M RAD 1 24 2 M RAD 1 25 2 M RAD 1 26 2 M RAD 1 27 2 M RAD 1 28 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 11 12 13 14 15 16 M SBL 1 1 9 M SMT 1 Ph M SBV 1 9 -9.2313 4.9628 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 17 18 19 20 21 22 M SBL 2 1 16 M SMT 2 Ph M SBV 2 16 -8.8188 4.5503 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 29 30 31 32 33 34 M SBL 3 1 29 M SMT 3 Ph M SBV 3 29 -7.9938 4.5503 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 35 36 37 38 39 40 M SBL 4 1 36 M SMT 4 Ph M SBV 4 36 -9.2313 4.1378 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792899 > ALDRICH > 379670 > - > - > - > - > 16248018 $$$$ 203206 0 0 0 0 0 0 0 0 1 V2000 -5.1626 3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1404 0.3226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -0.0218 0.0000 C 0 0 0 0 0 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0 0 0 0 2.7883 -1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -0.7897 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 -1.8253 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 -0.7864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 -1.8220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 0.1698 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 0.7677 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -0.1366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 2.3174 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 1.9063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 1.9063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 2 3 1 0 4 9 2 0 2 5 1 0 6 8 1 0 3 8 2 0 7 9 1 0 3 10 1 0 4 11 1 0 12 14 1 0 7 13 2 0 10 14 2 0 13 15 1 0 11 15 2 0 6 12 2 0 12 16 1 0 13 17 1 0 1 18 1 0 5 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 5 2 0 1 21 1 0 16 24 1 0 17 25 1 0 18 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 41 42 1 0 41 43 1 0 41 44 1 0 44 45 1 0 44 46 1 0 44 47 1 0 47 48 1 0 47 49 1 0 47 50 1 0 24 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 63 64 1 0 63 65 1 0 63 66 1 0 66 67 1 0 66 68 1 0 66 69 1 0 69 70 1 0 69 71 1 0 69 72 1 0 72 73 1 0 72 74 1 0 72 75 1 0 25 76 1 0 76 77 1 0 76 78 1 0 76 79 1 0 79 80 1 0 79 81 1 0 79 82 1 0 82 83 1 0 82 84 1 0 82 85 1 0 85 86 1 0 85 87 1 0 85 88 1 0 88 89 1 0 88 90 1 0 88 91 1 0 91 92 1 0 91 93 1 0 91 94 1 0 94 95 1 0 94 96 1 0 94 97 1 0 97 98 1 0 97 99 1 0 97100 1 0 102104 1 0 102103 1 0 104109 2 0 102105 1 0 106108 1 0 103108 2 0 107109 1 0 103110 1 0 104111 1 0 112114 1 0 107113 2 0 110114 2 0 113115 1 0 111115 2 0 106112 2 0 112116 1 0 113117 1 0 101118 1 0 105119 1 0 119120 2 0 120121 1 0 121122 2 0 122123 1 0 123105 2 0 101121 1 0 116124 1 0 117125 1 0 118126 1 0 126127 1 0 126128 1 0 126129 1 0 129130 1 0 129131 1 0 129132 1 0 132133 1 0 132134 1 0 132135 1 0 135136 1 0 135137 1 0 135138 1 0 138139 1 0 138140 1 0 138141 1 0 141142 1 0 141143 1 0 141144 1 0 144145 1 0 144146 1 0 144147 1 0 147148 1 0 147149 1 0 147150 1 0 124151 1 0 151152 1 0 151153 1 0 151154 1 0 154155 1 0 154156 1 0 154157 1 0 157158 1 0 157159 1 0 157160 1 0 160161 1 0 160162 1 0 160163 1 0 163164 1 0 163165 1 0 163166 1 0 166167 1 0 166168 1 0 166169 1 0 169170 1 0 169171 1 0 169172 1 0 172173 1 0 172174 1 0 172175 1 0 125176 1 0 176177 1 0 176178 1 0 176179 1 0 179180 1 0 179181 1 0 179182 1 0 182183 1 0 182184 1 0 182185 1 0 185186 1 0 185187 1 0 185188 1 0 188189 1 0 188190 1 0 188191 1 0 191192 1 0 191193 1 0 191194 1 0 194195 1 0 194196 1 0 194197 1 0 197198 1 0 197199 1 0 197200 1 0 201202 1 0 201203 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 M SAL 1 10 41 42 43 44 45 46 47 48 49 50 M SBL 1 1 28 M SMT 1 CF2(CF2)6CF3 M SBV 1 28 -0.6995 0.4321 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 M SAL 2 10 66 67 68 69 70 71 72 73 74 75 M SBL 2 1 53 M SMT 2 CF2(CF2)6CF3 M SBV 2 53 -0.7148 0.4064 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 M SAL 3 10 91 92 93 94 95 96 97 98 99 100 M SBL 3 1 78 M SMT 3 ^CF2(CF2)6CF3 M SBV 3 78 0.7126 0.4102 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 M SAL 4 10 141 142 143 144 145 146 147 148 149 150 M SBL 4 1 130 M SMT 4 CF2(CF2)6CF3 M SBV 4 130 -0.6995 0.4321 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 15 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 M SAL 5 10 166 167 168 169 170 171 172 173 174 175 M SBL 5 1 155 M SMT 5 CF2(CF2)6CF3 M SBV 5 155 -0.7148 0.4064 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 15 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 M SAL 6 10 191 192 193 194 195 196 197 198 199 200 M SBL 6 1 180 M SMT 6 ^CF2(CF2)6CF3 M SBV 6 180 0.7126 0.4102 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 3 201 202 203 M SMT 7 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03453279 > FLUKA > 95447 > - > - > - > - > 16248018 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011172 > ALDRICH > 520748 > - > - > - > - > 16248018 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.1354 -0.2070 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -0.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 3 4 1 0 4 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 PdO M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 3 4 5 M SMT 2 • xH2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149821 > ALDRICH > 205842 > - > - > - > - > 16248018 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.1354 -0.2070 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -0.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 3 4 1 0 4 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 PdO M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 3 4 5 M SMT 2 • xH2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149821 > ALDRICH > 76080 > - > - > - > - > 16248018 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.1354 -0.2070 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -0.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 3 4 1 0 4 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 PdO M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 3 4 5 M SMT 2 • xH2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149821 > ALDRICH > 520756 > - > - > - > - > 16248018 $$$$ 191194 0 0 0 0 0 0 0 0 1 V2000 4.6831 -7.5364 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 -7.9069 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 -7.8722 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -8.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 -7.0720 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.0143 -6.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4185 -7.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 -6.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2582 -6.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0956 -5.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7937 -8.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 -5.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6565 -7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -8.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1094 -7.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0106 -5.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0394 -8.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2521 -5.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4468 -9.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6442 -5.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4682 -6.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4618 -6.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -8.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 -7.1637 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.8351 -6.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -7.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 -6.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 -6.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -5.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 -8.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -6.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4773 -7.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -8.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -7.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 -6.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -8.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -6.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -9.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -5.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -6.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -6.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 -4.8733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2817 -4.6742 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -5.6594 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0928 -5.2099 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8338 -5.5662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 -5.9703 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7308 -4.0594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0118 -3.6606 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 -3.3403 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8813 -4.6974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4413 -5.3921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6223 -5.0538 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4397 -3.5092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6740 -3.2440 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 -2.7114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4620 -3.8601 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2030 -4.2164 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1057 -4.6012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0855 -2.9919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3981 -2.2314 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3663 -2.5931 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8832 -3.1910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6782 -4.0120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6686 -3.4363 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0764 -2.4164 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7464 -9.3298 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6359 -10.1446 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -9.2669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 -8.5078 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6813 -7.6894 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -8.5403 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0612 -8.3033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1415 -9.1216 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8827 -8.2707 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0856 -6.9880 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2635 -6.9727 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1008 -6.1659 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1543 -7.0078 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1390 -7.8299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9764 -7.0230 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1786 -5.6924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0982 -4.8742 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3571 -5.7251 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4782 -5.4881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2997 -5.4554 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5585 -6.3063 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4934 -4.6660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3154 -4.6812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5087 -3.8438 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6713 -4.6507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6941 -4.9075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1737 -4.2397 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3888 -5.3474 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1757 -5.8423 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8630 -6.6028 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.1985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 -5.4088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2445 -4.6532 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -5.0574 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5948 -6.6851 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3741 -6.8796 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4475 -7.4924 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 -6.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4120 -5.4109 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.8150 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -7.3218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0625 -8.0408 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 -6.9230 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -7.8402 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1565 -8.1529 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -7.0992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 -8.8623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8425 -9.0614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 -9.6485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 -8.7220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 -9.4173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4567 -10.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 -9.3544 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 -8.5953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5021 -7.7769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -8.6278 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -8.3908 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9623 -9.2091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 -8.3582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -7.0755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0843 -7.0602 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9216 -6.2534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9751 -7.0953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9598 -7.9174 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7972 -7.1105 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -5.7799 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9190 -4.9617 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1779 -5.8126 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 -5.5756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1205 -5.5429 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 -6.3938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 -4.7535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1362 -4.7687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 -3.9313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4921 -4.7382 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -4.9650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1026 -4.7659 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -5.7511 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 -5.3015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6546 -5.6579 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -6.0620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 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1 0 0 0 0 173176 1 0 0 0 0 176177 1 0 0 0 0 176178 1 0 0 0 0 176179 1 0 0 0 0 179180 1 0 0 0 0 179181 1 0 0 0 0 179182 1 0 0 0 0 182183 1 0 0 0 0 182184 1 0 0 0 0 182185 1 0 0 0 0 185186 1 0 0 0 0 185187 1 0 0 0 0 185188 1 0 0 0 0 188189 1 0 0 0 0 188190 1 0 0 0 0 188191 1 0 0 0 0 G 67 4 (CF2)7CF3 G 42 10 (CF2)7CF3 G 117 23 (CF2)7CF3 G 142 29 (CF2)7CF3 G 92 20 (CF2)7CF3 G 167 39 (CF2)7CF3 M STY 6 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP M SLB 6 1 1 2 2 3 3 4 4 5 5 6 6 M SAL 1 15 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 M SAL 1 10 82 83 84 85 86 87 88 89 90 91 M SBL 1 1 100 M SMT 1 (CF2)7CF3 M SBV 1 100 -0.7000 0.4300 M SAL 2 15 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 M SAL 2 10 57 58 59 60 61 62 63 64 65 66 M SBL 2 1 50 M SMT 2 (CF2)7CF3 M SBV 2 50 0.0200 -0.7700 M SAL 3 15 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 M SAL 3 10 132 133 134 135 136 137 138 139 140 141 M SBL 3 1 107 M SMT 3 (CF2)7CF3 M SBV 3 107 -0.7000 0.4300 M SAL 4 15 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 M SAL 4 10 157 158 159 160 161 162 163 164 165 166 M SBL 4 1 105 M SMT 4 (CF2)7CF3 M SBV 4 105 0.0100 -0.7700 M SAL 5 15 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 M SAL 5 10 107 108 109 110 111 112 113 114 115 116 M SBL 5 1 51 M SMT 5 (CF2)7CF3 M SBV 5 51 -0.0500 -0.6700 M SAL 6 15 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 M SAL 6 10 182 183 184 185 186 187 188 189 190 191 M SBL 6 1 106 M SMT 6 (CF2)7CF3 M SBV 6 106 -0.0500 -0.6800 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03791111 > ALDRICH > 88508 > - > - > - > - > 16248018 $$$$ 37 41 0 0 1 0 0 0 0 0 1 V2000 -2.4541 2.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 2.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 2.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 -0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 -0.1278 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 0.8690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 -0.9528 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 -0.1278 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5301 -0.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 2.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 -0.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 -0.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 -2.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 0.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 -0.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -2.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 12 13 1 0 0 0 14 5 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 13 17 1 0 0 0 18 19 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 20 24 1 0 0 0 24 25 1 0 0 0 23 25 1 0 0 0 25 26 1 0 0 0 21 26 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 27 31 1 0 0 0 31 32 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 28 33 1 0 0 0 18 20 1 0 0 0 18 27 1 0 0 0 21 34 1 1 0 0 28 35 1 1 0 0 32 36 1 6 0 0 25 37 1 6 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427335 > ALDRICH > 36037 > - > - > - > - > 16248018 $$$$ 30 26 0 0 0 0 0 0 0 0 1 V2000 -1.1993 -0.0626 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 0.6925 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.4186 -0.0626 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 1.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 0.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2835 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 -1.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1158 -1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 -0.0626 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5923 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 1.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -1.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9849 -1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 1.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -0.0626 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.0981 -0.9048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6 14 1 0 6 15 1 0 1 2 1 0 3 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 16 17 1 0 16 18 1 0 16 19 1 0 17 20 1 0 17 21 1 0 18 22 1 0 18 23 1 0 18 24 1 0 19 25 1 0 19 26 1 0 19 27 1 0 5 11 1 0 17 28 1 0 5 12 1 0 6 13 1 0 29 30 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04114019 > ALDRICH > 677728 > - > - > - > - > 16248018 $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 -0.9858 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 0.9539 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 1.7789 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -1.3664 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -0.5414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044874 > ALDRICH > 222380 > FLUKA > 06050 > - > - > 16248018 $$$$ 84 90 0 0 0 0 0 0 0 0 1 V2000 -5.9194 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9194 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 -0.8737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 0.4612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 3.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 -3.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 -4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -3.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 -0.2063 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 -2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2732 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 -1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2732 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 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-0.3731 -2.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 -1.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 -1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 -3.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -0.7462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 0.5932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 2.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 3.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 2.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 1.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 -1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 1.5870 0.0000 C 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 0.8026 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13 21 1 0 18 22 1 0 18 23 1 0 20 24 1 0 20 25 1 0 19 26 1 0 21 27 1 0 19 28 1 0 21 29 1 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 7 1 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 30 1 0 34 36 1 0 16 17 2 0 17 12 1 0 4 18 1 0 37 38 1 0 37 39 1 0 2 19 1 0 17 20 1 0 40 41 1 0 42 43 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____677256 > ALDRICH > 677256 > - > - > - > - > 16248018 $$$$ 41 40 0 0 0 0 0 0 0 0 1 V2000 -1.5984 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6609 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6609 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7206 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6912 -7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 -7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5718 -10.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1616 -9.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3325 -9.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9136 -10.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3196 -10.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1488 -10.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 -10.2287 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.3908 -11.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2273 -10.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -10.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -10.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8856 -10.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4795 -9.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 -9.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6684 -11.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 -12.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -12.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 -12.3059 0.0000 C 0 0 0 0 0 0 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2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 59 1 0 0 0 0 59 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 67 1 0 0 0 0 66 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 77 66 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010012 > ALDRICH > 697265 > FLUKA > 87645 > - > - > 16248018 $$$$ 67 71 0 0 0 0 0 0 0 0 1 V2000 2.3626 2.0332 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 -0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6515 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 3.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 3.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 3.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 2.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9386 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0754 2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4994 2.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 3.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 3.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 3.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4778 -2.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -1.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -0.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -0.1223 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 -0.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9405 0.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 -1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 -1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0806 1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4829 -0.1410 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 -0.7244 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4212 -2.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -3.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8337 -3.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1323 -2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6153 -3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -3.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 -2.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 -3.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 -3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -1.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 3.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 2.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 2.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2025 1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 2.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 3.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7024 0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 8 1 0 1 14 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 2 7 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 8 13 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 14 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 20 2 0 24 26 1 0 28 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 30 2 0 29 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 36 1 0 23 42 1 0 42 43 1 0 27 28 1 0 27 29 1 0 27 26 1 0 33 44 1 0 44 45 1 0 44 46 1 0 44 47 1 0 21 48 1 0 48 49 1 0 48 50 1 0 48 51 1 0 25 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 37 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 39 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 31 64 1 0 64 65 1 0 64 66 1 0 64 67 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 44 45 46 47 M SBL 1 1 48 M SMT 1 ^t-Bu M SBV 1 48 0.4125 0.7111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 48 49 50 51 M SBL 2 1 52 M SMT 2 t-Bu M SBV 2 52 -0.7111 0.4125 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 52 53 54 55 M SBL 3 1 56 M SMT 3 ^t-Bu M SBV 3 56 0.7128 0.4096 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 56 57 58 59 M SBL 4 1 60 M SMT 4 t-Bu M SBV 4 60 -0.7128 -0.4096 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 60 61 62 63 M SBL 5 1 64 M SMT 5 ^t-Bu M SBV 5 64 0.7111 -0.4125 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 64 65 66 67 M SBL 6 1 68 M SMT 6 ^t-Bu M SBV 6 68 0.4096 -0.7128 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____667315 > ALDRICH > 667315 > - > - > - > - > 16248018 $$$$ 72 78 0 0 0 0 0 0 0 0 1 V2000 -4.8543 0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -0.6888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 -0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 0.6460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7597 -0.0214 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 1.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 2.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 3.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 2.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 1.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 -1.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 -2.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -3.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 -2.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 -1.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4986 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -3.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4986 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 3.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -2.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1934 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 -1.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 -0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 -0.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -2.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -2.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -3.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -3.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 0.6888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -0.6460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0652 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3558 -1.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0721 -3.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 -1.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7791 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 3.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 2.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4942 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0616 3.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6407 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -3.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 0.0207 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 1.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 1.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 2.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 6 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 6 1 0 0 0 7 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 7 1 0 0 0 14 19 1 0 0 0 18 20 1 0 0 0 16 21 1 0 0 0 13 22 1 0 0 0 9 23 1 0 0 0 11 24 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 25 1 0 0 0 30 31 2 0 0 0 27 32 2 0 0 0 25 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 26 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 37 1 0 0 0 41 42 1 0 0 0 39 43 1 0 0 0 42 44 2 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 46 47 1 0 0 0 47 48 2 0 0 0 48 42 1 0 0 0 43 49 2 0 0 0 49 50 1 0 0 0 50 51 2 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 53 43 1 0 0 0 49 54 1 0 0 0 53 55 1 0 0 0 51 56 1 0 0 0 48 57 1 0 0 0 44 58 1 0 0 0 46 59 1 0 0 0 40 60 2 0 0 0 61 62 2 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 2 0 0 0 65 66 1 0 0 0 66 61 1 0 0 0 66 67 2 0 0 0 63 68 2 0 0 0 64 69 1 0 0 0 69 70 2 0 0 0 70 71 1 0 0 0 71 72 2 0 0 0 72 65 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08705778 > ALDRICH > 660272 > - > - > - > - > 16248018 $$$$ 39 40 0 0 0 0 0 0 0 0 1 V2000 0.7125 -5.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -5.3375 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -5.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4569 -5.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4557 -6.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1706 -6.5819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 -6.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 -5.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1688 -4.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -4.9208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -2.5304 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2750 -3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 -2.5304 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6592 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8893 -2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -3.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3763 -4.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 -3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0809 -2.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -2.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 -2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -3.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 -4.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8862 -3.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -1.6873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9122 -1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4834 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 -4.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5947 -4.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -3.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -4.1774 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9417 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 -1.6946 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0642 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 8 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 23 28 1 0 0 0 0 16 18 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 18 19 1 0 0 0 0 27 31 1 0 0 0 0 12 13 1 0 0 0 0 31 32 1 0 0 0 0 19 20 2 0 0 0 0 31 33 1 0 0 0 0 13 14 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 34 35 1 0 0 0 0 14 15 1 0 0 0 0 22 36 1 0 0 0 0 21 22 2 0 0 0 0 36 37 1 0 0 0 0 22 16 1 0 0 0 0 36 38 1 0 0 0 0 15 11 1 0 0 0 0 34 39 1 0 0 0 0 17 23 2 0 0 0 0 23 24 1 0 0 0 0 15 16 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 13 17 1 0 0 0 0 26 27 2 0 0 0 0 27 17 1 0 0 0 0 M RAD 1 14 2 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____674702 > ALDRICH > 674702 > - > - > - > - > 16248018 $$$$ 39 40 0 0 0 0 0 0 0 0 1 V2000 2.6956 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 -0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 -0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -0.2287 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5487 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 0.5690 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7898 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7902 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8223 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 -0.7286 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1161 -0.7157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4017 1.0561 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1080 1.0690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1251 -0.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 -0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 0.1714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5139 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2955 1.0934 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 0.1474 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 -0.4637 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 1.0092 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 18 1 0 0 0 0 2 19 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 19 26 1 0 0 0 0 21 27 1 0 0 0 0 19 28 1 0 0 0 0 21 29 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 34 36 1 0 0 0 0 11 7 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08457656 > ALDRICH > 669032 > - > - > - > - > 16248018 $$$$ 26 26 0 0 0 0 0 0 0 0 1 V2000 -0.9592 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 -0.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 -0.0160 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -1.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.7874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 -1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 0.8024 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 0.1119 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 -0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7136 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 -1.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 1.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 13 1 0 0 0 0 12 10 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 17 1 0 0 0 0 22 25 1 0 0 0 0 19 26 1 0 0 0 0 15 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08705289 > ALDRICH > 668532 > - > - > - > - > 16248018 $$$$ 38 40 0 0 0 0 0 0 0 0 1 V2000 -0.9887 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 2.5780 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 -0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 -0.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 0.0952 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.6528 -1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -0.6762 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9313 -1.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -1.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 -1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -2.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 -2.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -3.1492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 0.9137 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5113 0.1372 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2684 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 0.9556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 -1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 -1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1554 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -2.5164 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 1.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6494 1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2372 1.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0297 2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2344 2.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6467 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 3.0742 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 16 19 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 12 10 1 0 0 0 0 11 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 23 1 0 0 0 0 27 30 1 0 0 0 0 25 31 1 0 0 0 0 21 20 1 0 0 0 0 24 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 35 38 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____668923 > ALDRICH > 668923 > - > - > - > - > 16248018 $$$$ 39 38 0 0 0 0 0 0 0 0 1 V2000 -1.3621 0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1871 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4246 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4246 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 0.4111 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -0.4139 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8371 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 2 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 23 1 0 0 0 26 29 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 22 32 1 0 0 0 32 33 1 0 0 0 32 34 1 0 0 0 32 35 1 0 0 0 22 36 1 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 36 39 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 11 M SMT 1 t-Bu M SBV 1 11 -7.2918 4.7079 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 15 16 17 18 M SBL 2 1 15 M SMT 2 t-Bu M SBV 2 15 -7.2918 3.8829 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 32 33 34 35 M SBL 3 1 31 M SMT 3 t-Bu M SBV 3 31 -7.2918 3.8829 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 36 37 38 39 M SBL 4 1 35 M SMT 4 t-Bu M SBV 4 35 -7.2918 4.7079 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09265123 > ALDRICH > 678740 > - > - > - > - > 16248018 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011172 > ALDRICH > 464686 > - > - > - > - > 16248018 $$$$ 27 24 0 0 0 0 0 0 0 0 1 V2000 -1.7462 -0.4495 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 -0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 -0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 -1.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -1.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0456 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 1.9530 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 -0.3061 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 -1.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 -1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3885 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 1.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6175 0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3909 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 0.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 1 10 1 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 16 15 1 0 0 0 15 20 1 0 0 0 15 24 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094580 > ALDRICH > 676578 > - > - > - > - > 16248018 $$$$ 34 35 0 0 0 0 0 0 0 0 1 V2000 4.6045 -3.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -3.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1543 -3.9894 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4903 -3.5248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1543 -3.0602 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1543 -2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1543 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9569 -3.5248 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1543 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6555 -1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6555 -2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6555 -4.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6555 -5.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1543 -5.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -5.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -4.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1567 -4.5644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1518 -4.5644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1567 -2.4852 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1518 -2.4852 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7832 -2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 -2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 -2.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -4.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 -3.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -4.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 -4.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -4.1873 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7607 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7655 -3.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 7 1 0 0 0 0 14 19 1 0 0 0 0 18 20 1 0 0 0 0 13 21 1 0 0 0 0 9 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 8 31 1 0 0 0 0 32 33 1 0 0 0 0 1 2 2 0 0 0 0 33 34 1 0 0 0 0 M RAD 3 32 2 33 2 34 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08561131 > ALDRICH > 660361 > - > - > - > - > 16248018 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -0.0020 1.1705 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0020 2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.4495 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2491 0.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 -2.6705 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03703396 > FLUKA > 76040 > - > - > - > - > 16248018 $$$$ 56 57 0 0 0 0 0 0 0 0 1 V2000 -5.6286 3.5900 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -5.5427 2.4299 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6898 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 3.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6898 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 1.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -3.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -1.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -3.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 -2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 4 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 11 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 14 2 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 21 1 0 22 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 29 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 32 2 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 39 1 0 40 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 47 51 2 0 50 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 56 50 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013310 > ALDRICH > 683345 > - > - > - > - > 16248018 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -0.1447 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012453 > ALDRICH > 684929 > FLUKA > 76044 > - > - > 16248018 $$$$ 56 56 0 0 0 0 0 0 0 0 1 V2000 -2.9696 0.8064 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9696 -0.8322 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 -1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 -1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3503 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3503 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9262 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 2.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9262 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -1.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 2.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 2.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7256 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3679 -0.0271 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 1.1312 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1312 2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 0.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 -2.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8241 -2.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 -2.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8241 -0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -0.8456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6210 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2011 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 0.6210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.4432 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8832 0.6210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 -0.5391 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.1041 -1.3613 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -0.5391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 0.2830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9262 -0.5391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 1 3 1 0 2 4 1 0 2 5 1 0 1 6 1 0 7 9 1 0 7 8 1 0 1 9 1 0 6 10 1 0 6 11 2 0 3 12 1 0 3 13 2 0 4 14 1 0 4 15 2 0 5 16 1 0 5 17 2 0 11 18 1 0 14 19 2 0 15 20 1 0 12 21 2 0 13 22 1 0 16 23 2 0 17 24 1 0 10 25 2 0 18 26 2 0 24 27 2 0 22 28 2 0 20 29 2 0 25 26 1 0 21 28 1 0 23 27 1 0 19 29 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 31 1 0 31 37 1 0 37 38 3 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 39 1 0 39 45 1 0 45 46 3 0 47 48 1 0 47 49 1 0 47 50 1 0 47 51 1 0 52 53 1 0 52 54 1 0 52 55 1 0 52 56 1 0 M CHG 3 30 2 47 -1 52 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 47 48 49 50 51 M SMT 1 BF4- M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 52 53 54 55 56 M SMT 2 BF4- M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10567055 > ALDRICH > 696617 > - > - > - > - > 16248018 $$$$ 32 34 0 0 0 0 0 0 0 0 1 V2000 4.8193 -2.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 -3.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -3.6121 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8586 -2.7121 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.3390 -2.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8586 -3.3121 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 -3.8916 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7048 -3.3121 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8544 -2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4377 -2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7029 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4339 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -4.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 -3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 -3.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 -3.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3431 -4.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6431 -4.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -4.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -4.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -3.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6431 -3.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 27 1 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 3 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 9 14 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 27 32 1 0 0 0 0 G 15 4 Ph G 21 3 Ph G 9 4 Ph G 27 3 Ph M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 6 15 16 17 18 19 20 M SBL 1 1 15 M SMT 1 Ph M SBV 1 15 -0.5800 -0.1500 M SAL 2 6 21 22 23 24 25 26 M SBL 2 1 16 M SMT 2 Ph M SBV 2 16 0.4300 0.4300 M SAL 3 6 9 10 11 12 13 14 M SBL 3 1 14 M SMT 3 Ph M SBV 3 14 0.0000 -0.5900 M SAL 4 6 27 28 29 30 31 32 M SBL 4 1 1 M SMT 4 Ph M SBV 4 1 -0.0100 0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03844773 > ALDRICH > 696676 > - > - > - > - > 16248018 $$$$ 199202 0 0 0 0 0 0 0 0 1 V2000 -7.4025 -1.7962 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 -6.5804 -1.7962 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -7.2961 3.2906 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -6.0421 3.2906 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.2070 3.2906 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.2736 -2.9134 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 -6.4515 -2.9134 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -7.2961 2.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0128 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0128 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2961 0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5794 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5794 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8649 0.4328 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.2981 4.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6215 5.2286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8572 6.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7051 6.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9598 5.2580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8295 4.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7611 5.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5327 4.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7406 4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2455 4.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5424 5.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3344 5.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2803 5.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0817 5.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3639 4.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8876 4.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0863 4.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3344 5.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 5.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 4.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9538 5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3649 6.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1316 5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 4.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 5.2648 0.0000 C 0 0 0 0 0 0 0 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0 9.8952 5.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1031 5.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 5.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 5.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 4.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 4.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3341 4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6221 4.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3341 5.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 4.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 5.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 3.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1031 5.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9253 5.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 4.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 5.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 6.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 5.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 -3.7563 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -3.7563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 -2.8200 -1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -2.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6259 -2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 -2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 -2.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -2.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 -2.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -1.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -3.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 -3.7992 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 8.5673 -3.7992 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4023 -3.7992 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 -5.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 -5.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 -6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 -6.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -5.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7445 -6.6570 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9878 -1.8612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9043 -1.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6496 -1.8319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 -2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 -2.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0767 -2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8687 -2.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3639 -2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -2.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -1.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5277 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 -2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 -2.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 -2.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -1.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0971 -1.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8639 -2.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4777 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -2.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1104 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1104 -1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8199 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 6 7 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 12 14 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 19 21 1 0 0 0 20 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 20 1 0 0 0 21 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 21 1 0 0 0 26 32 1 0 0 0 32 33 1 0 0 0 32 34 1 0 0 0 27 35 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 22 38 1 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 31 41 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 44 45 1 0 0 0 44 46 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 50 51 1 0 0 0 51 52 2 0 0 0 52 47 1 0 0 0 51 53 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 2 0 0 0 57 58 1 0 0 0 54 58 1 0 0 0 55 59 1 0 0 0 58 60 1 0 0 0 59 61 2 0 0 0 61 62 1 0 0 0 62 63 2 0 0 0 63 64 1 0 0 0 64 65 2 0 0 0 65 59 1 0 0 0 60 66 2 0 0 0 66 67 1 0 0 0 67 68 2 0 0 0 68 69 1 0 0 0 69 70 2 0 0 0 70 60 1 0 0 0 66 71 1 0 0 0 71 72 1 0 0 0 71 73 1 0 0 0 65 74 1 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 61 77 1 0 0 0 77 78 1 0 0 0 77 79 1 0 0 0 70 80 1 0 0 0 80 81 1 0 0 0 80 82 1 0 0 0 83 84 1 0 0 0 83 85 1 0 0 0 86 87 2 0 0 0 87 88 1 0 0 0 88 89 2 0 0 0 89 90 1 0 0 0 90 91 2 0 0 0 91 86 1 0 0 0 90 92 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 95 96 2 0 0 0 96 97 1 0 0 0 93 97 1 0 0 0 94 98 1 0 0 0 97 99 1 0 0 0 98100 2 0 0 0 100101 1 0 0 0 101102 2 0 0 0 102103 1 0 0 0 103104 2 0 0 0 104 98 1 0 0 0 99105 2 0 0 0 105106 1 0 0 0 106107 2 0 0 0 107108 1 0 0 0 108109 2 0 0 0 109 99 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 110112 1 0 0 0 100113 1 0 0 0 113114 1 0 0 0 113115 1 0 0 0 104116 1 0 0 0 116117 1 0 0 0 116118 1 0 0 0 105119 1 0 0 0 119120 1 0 0 0 119121 1 0 0 0 122123 1 0 0 0 122124 1 0 0 0 125126 2 0 0 0 126127 1 0 0 0 127128 2 0 0 0 128129 1 0 0 0 129130 2 0 0 0 130125 1 0 0 0 129131 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 134135 2 0 0 0 135136 1 0 0 0 132136 1 0 0 0 133137 1 0 0 0 136138 1 0 0 0 137139 2 0 0 0 139140 1 0 0 0 140141 2 0 0 0 141142 1 0 0 0 142143 2 0 0 0 143137 1 0 0 0 138144 2 0 0 0 144145 1 0 0 0 145146 2 0 0 0 146147 1 0 0 0 147148 2 0 0 0 148138 1 0 0 0 143149 1 0 0 0 149150 1 0 0 0 149151 1 0 0 0 148152 1 0 0 0 152153 1 0 0 0 152154 1 0 0 0 144155 1 0 0 0 155156 1 0 0 0 155157 1 0 0 0 139158 1 0 0 0 158159 1 0 0 0 158160 1 0 0 0 161162 1 0 0 0 161163 1 0 0 0 164165 2 0 0 0 165166 1 0 0 0 166167 2 0 0 0 167168 1 0 0 0 168169 2 0 0 0 169164 1 0 0 0 168170 1 0 0 0 171172 1 0 0 0 172173 1 0 0 0 173174 2 0 0 0 174175 1 0 0 0 171175 1 0 0 0 172176 1 0 0 0 175177 1 0 0 0 176178 2 0 0 0 178179 1 0 0 0 179180 2 0 0 0 180181 1 0 0 0 181182 2 0 0 0 182176 1 0 0 0 177183 2 0 0 0 183184 1 0 0 0 184185 2 0 0 0 185186 1 0 0 0 186187 2 0 0 0 187177 1 0 0 0 182188 1 0 0 0 188189 1 0 0 0 188190 1 0 0 0 183191 1 0 0 0 191192 1 0 0 0 191193 1 0 0 0 187194 1 0 0 0 194195 1 0 0 0 194196 1 0 0 0 178197 1 0 0 0 197198 1 0 0 0 197199 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 32 33 34 M SBL 1 1 31 M SMT 1 i-Pr M SBV 1 31 -12.2490 8.0351 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 35 36 37 M SBL 2 1 34 M SMT 2 i-P^r M SBV 2 34 -11.9225 8.6636 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 38 39 40 M SBL 3 1 37 M SMT 3 ^i-Pr M SBV 3 37 -12.2154 7.9886 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 41 42 43 M SBL 4 1 40 M SMT 4 i-Pr M SBV 4 40 -12.2662 8.0093 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 3 71 72 73 M SBL 5 1 71 M SMT 5 i-P^r M SBV 5 71 -11.9225 8.6636 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 3 74 75 76 M SBL 6 1 74 M SMT 6 i-Pr M SBV 6 74 -12.2490 8.0351 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 3 77 78 79 M SBL 7 1 77 M SMT 7 ^i-Pr M SBV 7 77 -12.2154 7.9886 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 3 80 81 82 M SBL 8 1 80 M SMT 8 i-Pr M SBV 8 80 -12.2662 8.0093 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 3 110 111 112 M SBL 9 1 111 M SMT 9 i-Pr M SBV 9111 -12.2662 8.0093 M STY 1 10 SUP M SLB 1 10 10 M SAL 10 3 113 114 115 M SBL 10 1 114 M SMT 10 ^i-Pr M SBV 10114 -12.2154 7.9886 M STY 1 11 SUP M SLB 1 11 11 M SAL 11 3 116 117 118 M SBL 11 1 117 M SMT 11 i-Pr M SBV 11117 -12.2490 8.0351 M STY 1 12 SUP M SLB 1 12 12 M SAL 12 3 119 120 121 M SBL 12 1 120 M SMT 12 i-P^r M SBV 12120 -11.9225 8.6636 M STY 1 13 SUP M SLB 1 13 13 M SAL 13 3 149 150 151 M SBL 13 1 151 M SMT 13 i-Pr M SBV 13151 -12.2490 8.0351 M STY 1 14 SUP M SLB 1 14 14 M SAL 14 3 152 153 154 M SBL 14 1 154 M SMT 14 i-Pr M SBV 14154 -12.2662 8.0093 M STY 1 15 SUP M SLB 1 15 15 M SAL 15 3 155 156 157 M SBL 15 1 157 M SMT 15 i-P^r M SBV 15157 -11.9225 8.6636 M STY 1 16 SUP M SLB 1 16 16 M SAL 16 3 158 159 160 M SBL 16 1 160 M SMT 16 ^i-Pr M SBV 16160 -12.2154 7.9886 M STY 1 17 SUP M SLB 1 17 17 M SAL 17 3 188 189 190 M SBL 17 1 191 M SMT 17 i-Pr M SBV 17191 -12.2490 8.0351 M STY 1 18 SUP M SLB 1 18 18 M SAL 18 3 191 192 193 M SBL 18 1 194 M SMT 18 i-P^r M SBV 18194 -11.9225 8.6636 M STY 1 19 SUP M SLB 1 19 19 M SAL 19 3 194 195 196 M SBL 19 1 197 M SMT 19 i-Pr M SBV 19197 -12.2662 8.0093 M STY 1 20 SUP M SLB 1 20 20 M SAL 20 3 197 198 199 M SBL 20 1 200 M SMT 20 ^i-Pr M SBV 20200 -12.2154 7.9886 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____692263 > ALDRICH > 692263 > - > - > - > - > 16248018 $$$$ 12 8 0 0 0 0 0 0 0 0 1 V2000 -2.3203 0.6930 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.7328 -0.0215 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.3203 -0.7360 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.5578 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 0.7360 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2.7328 0.0215 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2.3203 -0.6930 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 3.5578 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.0289 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 0.5545 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -0.5381 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -0.0289 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 M RAD 1 1 2 M RAD 1 2 2 M RAD 1 3 2 M RAD 1 5 2 M RAD 1 6 2 M RAD 1 7 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08561141 > ALDRICH > 673064 > - > - > - > - > 16248018 $$$$ 54 58 0 0 0 0 0 0 0 0 1 V2000 4.1789 -2.7844 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.5431 -3.2686 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 -3.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 -3.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -2.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 -3.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -2.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 -1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 -1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 -2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 -2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4987 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1258 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1258 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 -2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 -1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 -2.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -3.8232 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.3144 -3.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8317 -3.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 -2.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3128 -2.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7949 -3.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7919 -2.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -3.2349 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -3.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9785 -5.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -4.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0747 -4.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7786 -5.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 -5.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7704 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7704 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -4.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9718 -3.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4604 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 -4.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 1 19 1 0 0 0 0 18 24 1 0 0 0 0 10 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 7 6 2 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 1 15 1 0 0 0 0 14 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 33 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 28 33 1 0 0 0 0 37 36 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 44 1 0 0 0 0 28 48 1 0 0 0 0 47 50 1 0 0 0 0 39 51 1 0 0 0 0 40 28 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 37 53 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01075746 > ALDRICH > 671916 > - > - > - > - > 16248018 $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 -0.9858 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 0.9539 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 1.7789 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -1.3664 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -0.5414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044874 > ALDRICH > 683396 > FLUKA > 06050 > - > - > 16248018 $$$$ 41 44 0 0 0 0 0 0 0 0 1 V2000 2.5298 -2.5333 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.5298 -3.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 -2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 -2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -3.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -4.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 -4.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 -4.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 -3.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 -2.9083 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -2.4841 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 -3.5083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 -3.1844 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.3467 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3111 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3467 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2718 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2718 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3111 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 -2.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 -1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3093 -1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3093 -2.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18 19 2 0 0 0 0 19 2 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 3 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 4 1 0 0 0 0 2 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 25 1 0 0 0 0 26 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 26 1 0 0 0 0 23 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 23 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134175 > ALDRICH > 360163 > - > - > - > - > 16248018 $$$$ 40 42 0 0 0 0 0 0 0 0 1 V2000 7.0156 -2.9792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5352 -2.6792 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -2.9792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 -1.8473 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.2436 -1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2891 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 -0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 -0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 -0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -2.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3626 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0516 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4919 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -4.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 -4.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -4.6110 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.7591 -5.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 -4.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 -5.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -6.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 -6.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 -5.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 -5.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6308 -4.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 -4.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9444 -3.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 -3.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -3.1875 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 18 19 2 0 0 0 0 3 2 1 0 0 0 0 19 20 1 0 0 0 0 5 9 1 0 0 0 0 20 21 2 0 0 0 0 21 10 1 0 0 0 0 22 26 1 0 0 0 0 4 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 26 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 11 12 2 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 12 13 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 13 14 2 0 0 0 0 30 31 1 0 0 0 0 8 5 1 0 0 0 0 31 32 2 0 0 0 0 14 15 1 0 0 0 0 32 33 1 0 0 0 0 5 6 1 0 0 0 0 33 34 2 0 0 0 0 34 28 1 0 0 0 0 15 16 2 0 0 0 0 29 35 2 0 0 0 0 16 11 1 0 0 0 0 35 36 1 0 0 0 0 6 7 1 0 0 0 0 36 37 2 0 0 0 0 10 17 2 0 0 0 0 37 38 1 0 0 0 0 7 4 1 0 0 0 0 38 39 2 0 0 0 0 39 29 1 0 0 0 0 17 18 1 0 0 0 0 M RAD 8 4 2 5 2 6 2 7 2 8 2 22 2 23 2 24 2 M RAD 2 25 2 26 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015757 > ALDRICH > 697230 > - > - > - > - > 16248018 $$$$ 27 27 0 0 0 0 0 0 0 0 1 V2000 0.9836 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -1.7334 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0618 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -2.0334 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6187 -1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -1.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -2.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 -1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6187 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1281 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 -3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 -3.1209 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.3897 -3.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9093 -3.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -2.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9093 -2.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 1 0 0 0 0 7 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 20 26 2 0 0 0 0 24 27 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09842752 > ALDRICH > 684821 > - > - > - > - > 16248018 $$$$ 48 52 0 0 0 0 0 0 0 0 1 V2000 -2.3590 -1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 -1.1772 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 -2.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2144 -2.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2144 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 -1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 -2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -1.2631 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -1.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -2.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 -2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 -1.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -1.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 0.4381 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0213 1.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -0.3840 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 1 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 1 1 0 3 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 3 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 20 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 20 1 0 22 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 22 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 39 1 0 41 45 1 0 40 46 1 0 46 47 1 0 45 48 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276871 > ALDRICH > 665932 > - > - > - > - > 16248018 $$$$ 28 29 0 0 0 0 0 0 0 0 1 V2000 6.3092 -4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 -4.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2328 -4.8048 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9077 -5.2896 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5703 -4.8025 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3589 -5.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -5.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -6.1126 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 7.5647 -5.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3642 -6.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9326 -5.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7268 -4.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9398 -4.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 -4.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0116 -4.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 -5.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -6.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 -5.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 -6.9036 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7278 -3.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9817 -6.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7277 -5.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 -6.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7784 -3.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -6.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -7.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -7.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1723 -8.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 7 1 0 0 0 0 8 19 1 0 0 0 0 13 20 1 0 0 0 0 9 21 1 0 0 0 0 11 22 1 0 0 0 0 16 23 1 0 0 0 0 14 24 1 0 0 0 0 18 25 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____663042 > ALDRICH > 663042 > - > - > - > - > 16248018 $$$$ 30 32 0 0 0 0 0 0 0 0 1 V2000 -1.1696 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 -0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.6885 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.6729 -0.9885 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -0.1333 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.1871 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9002 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 25 1 0 0 0 0 1 2 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 G 13 12 Ph G 19 12 Ph G 25 12 Ph M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 6 13 14 15 16 17 18 M SBL 1 1 23 M SMT 1 Ph M SBV 1 23 0.0000 0.6000 M SAL 2 6 19 20 21 22 23 24 M SBL 2 1 24 M SMT 2 Ph M SBV 2 24 0.5200 -0.2900 M SAL 3 6 25 26 27 28 29 30 M SBL 3 1 25 M SMT 3 Ph M SBV 3 25 -0.5200 -0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276875 > ALDRICH > 666327 > - > - > - > - > 16248018 $$$$ 47 52 0 0 0 0 0 0 0 0 1 V2000 -1.9060 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -2.3185 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3185 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3782 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7892 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7892 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 4 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 3 1 0 0 0 2 15 1 0 0 0 1 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 1 1 0 0 0 18 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 15 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 26 1 0 0 0 27 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 27 1 0 0 0 25 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 25 2 0 0 0 40 43 1 0 0 0 43 44 1 0 0 0 43 45 1 0 0 0 15 46 1 0 0 0 15 47 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____692913 > ALDRICH > 692913 > - > - > - > - > 16248018 $$$$ 26 27 0 0 0 0 0 0 0 0 1 V2000 -1.7837 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 -1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -1.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2062 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.6159 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 12 13 1 0 0 0 14 4 1 0 0 0 13 15 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 16 18 2 0 0 0 14 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 14 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 19 20 21 22 M SBL 1 1 20 M SMT 1 t-Bu M SBV 1 20 -6.0806 4.3885 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 24 M SMT 2 t-Bu M SBV 2 24 -6.0806 4.3885 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04117716 > ALDRICH > 655414 > - > - > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0005 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 0.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 0.7499 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011170 > ALDRICH > 205877 > - > - > - > - > 16248018 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 3.8012 -6.8711 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 -7.6035 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 -7.6011 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -5.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 -5.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 -5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 -5.3198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6551 -5.9351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3583 -4.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 2 1 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 10 8 1 0 0 0 0 6 5 1 0 0 0 0 M RAD 4 4 2 5 2 6 2 7 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134222 > ALDRICH > 362174 > - > - > - > - > 16248018 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -2.8579 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 6 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 8 11 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792325 > ALDRICH > 481165 > - > - > - > - > 16248018 $$$$ 11 9 0 0 0 0 0 0 0 0 1 V2000 5.8475 -2.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3356 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8325 -2.3606 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3506 -3.8731 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8386 -4.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8775 -4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3055 -2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3445 -2.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 -3.4543 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 -2.8543 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 -3.7543 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075317 > ALDRICH > 345229 > - > - > - > - > 16248018 $$$$ 9 6 0 0 0 0 0 0 0 0 1 V2000 1.4982 0.0553 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 0.7673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -0.7697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -0.6592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 7 8 1 0 0 0 8 9 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 4 5 6 M SMT 1 CH3C^N M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 7 8 9 M SMT 2 CH3C^N M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013122 > ALDRICH > 446319 > FLUKA > 76055 > - > - > 16248018 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00016285 > ALDRICH > 398306 > - > - > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3744 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011171 > ALDRICH > 203963 > - > - > - > - > 16248018 $$$$ 36 38 0 0 0 0 0 0 0 0 1 V2000 -2.3954 -2.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -2.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -3.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -2.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.0877 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -0.0315 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0692 -1.9200 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.7144 -2.4403 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -4.4011 -1.9866 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -4.1805 -1.1916 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.3564 -1.1916 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.1275 1.1142 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.7727 1.6345 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -4.4595 1.1808 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -4.2388 0.3859 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.4147 0.3859 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -3.8475 -0.3716 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 3.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 2.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2082 3.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 0.9859 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 3.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 2.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4232 0.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0356 0.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 11 7 1 0 0 0 5 11 1 0 0 0 1 7 1 0 0 0 2 4 1 0 0 0 10 11 1 0 0 0 5 6 1 0 0 0 1 2 1 0 0 0 14 15 1 0 0 0 16 12 1 0 0 0 15 16 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 2 3 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 18 22 1 0 0 0 22 23 1 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 19 24 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 25 29 1 0 0 0 29 30 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 26 31 1 0 0 0 32 25 1 0 0 0 32 18 1 0 0 0 30 33 1 6 0 0 23 34 1 6 0 0 26 35 1 1 0 0 19 36 1 1 0 0 M RAD 1 7 2 M RAD 1 8 2 M RAD 1 9 2 M RAD 1 10 2 M RAD 1 11 2 M RAD 1 12 2 M RAD 1 13 2 M RAD 1 14 2 M RAD 1 15 2 M RAD 1 16 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05861622 > ALDRICH > 44696 > - > - > - > - > 16248018 $$$$ 33 35 0 0 0 0 0 0 0 0 1 V2000 -0.7682 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 0.9255 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 0.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4352 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4352 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -0.9255 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5565 -1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5565 -2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 0.4017 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.2762 -0.0093 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 -0.0093 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 1 0 2 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 6 2 0 7 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 7 1 0 18 19 1 0 18 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 19 2 0 20 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 20 1 0 1 18 1 0 31 32 1 0 31 33 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 31 32 33 M SMT 1 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093437 > ALDRICH > 92877 > - > - > - > - > 16248018 $$$$ 96100 0 0 0 0 0 0 0 0 1 V2000 1.8718 -5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8718 -6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -6.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 -6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 -5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -5.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -4.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 -4.0582 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.2955 -3.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -2.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 -2.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 -3.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 -4.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -4.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 -4.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1548 -4.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1548 -3.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 -2.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 -5.2957 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 -5.9920 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3948 -6.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3948 -5.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 -5.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 -5.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 -6.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 -6.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 -7.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 -8.0918 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.9711 -8.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 -9.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6616 -10.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -10.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1084 -10.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1084 -9.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 -7.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5416 -8.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -7.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 -8.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 -8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -9.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5416 -8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -6.8543 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.8253 -6.1580 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -7.7682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4073 -7.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -8.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 -7.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8681 -2.8148 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4570 -2.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 -2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -4.0915 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5947 -4.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -4.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -4.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -1.5604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8444 -0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 -1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 -2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 -5.4013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7163 -4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 -5.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -2.5954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8492 -2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 -3.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 -2.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3900 -8.3046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2122 -8.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3900 -9.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5678 -8.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8573 -6.7445 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4462 -7.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1452 -6.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2684 -6.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 -9.5568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9340 -9.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 -10.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2896 -9.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 -4.5612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4954 -4.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 -4.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6043 -10.4604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1931 -11.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8922 -10.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0154 -9.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 -9.3352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8096 -10.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 -9.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 -8.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39 73 1 0 0 0 0 37 89 1 0 0 0 0 46 81 1 0 0 0 0 44 93 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 61 64 1 0 0 0 0 3 49 1 0 0 0 0 15 57 1 0 0 0 0 22 69 1 0 0 0 0 20 53 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 65 68 1 0 0 0 0 13 61 1 0 0 0 0 1 65 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69 72 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 77 80 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 38 39 2 0 0 0 0 34 39 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 81 84 1 0 0 0 0 32 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 85 86 1 0 0 0 0 85 87 1 0 0 0 0 85 88 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 41 46 1 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 89 92 1 0 0 0 0 42 47 1 0 0 0 0 47 48 1 0 0 0 0 27 85 1 0 0 0 0 25 77 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 93 96 1 0 0 0 0 G 49 3 t-Bu G 81 46 t-Bu G 61 13 t-Bu G 53 20 t-Bu G 77 25 t-Bu G 89 37 t-Bu G 65 1 t-Bu G 73 39 t-Bu G 69 22 t-Bu G 85 27 t-Bu G 57 15 t-Bu G 93 44 t-Bu M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 4 9 SUP 10 SUP 11 SUP 12 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 4 9 9 10 10 11 11 12 12 M SAL 1 4 49 50 51 52 M SBL 1 1 45 M SMT 1 t-Bu M SBV 1 45 0.0000 0.8200 M SAL 2 4 81 82 83 84 M SBL 2 1 3 M SMT 2 t-Bu M SBV 2 3 -0.5700 0.6400 M SAL 3 4 61 62 63 64 M SBL 3 1 52 M SMT 3 t-Bu M SBV 3 52 0.7300 -0.4400 M SAL 4 4 53 54 55 56 M SBL 4 1 48 M SMT 4 t-Bu M SBV 4 48 -0.7100 -0.4100 M SAL 5 4 77 78 79 80 M SBL 5 1 97 M SMT 5 t-Bu M SBV 5 97 -0.4600 0.3000 M SAL 6 4 89 90 91 92 M SBL 6 1 2 M SMT 6 t-Bu M SBV 6 2 -0.5000 0.3000 M SAL 7 4 65 66 67 68 M SBL 7 1 53 M SMT 7 t-Bu M SBV 7 53 0.5700 -0.3000 M SAL 8 4 73 74 75 76 M SBL 8 1 1 M SMT 8 t-Bu M SBV 8 1 -0.0200 -0.6100 M SAL 9 4 69 70 71 72 M SBL 9 1 47 M SMT 9 t-Bu M SBV 9 47 0.6700 -0.6300 M SAL 10 4 85 86 87 88 M SBL 10 1 96 M SMT 10 t-Bu M SBV 10 96 0.0000 -0.6500 M SAL 11 4 57 58 59 60 M SBL 11 1 46 M SMT 11 t-Bu M SBV 11 46 0.1200 0.8600 M SAL 12 4 93 94 95 96 M SBL 12 1 4 M SMT 12 t-Bu M SBV 12 4 0.7100 0.4200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05664719 > ALDRICH > 94905 > - > - > - > - > 16248018 $$$$ 9 4 0 0 0 0 0 0 0 0 1 V2000 -3.0927 0.8427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 -1.6849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 -2.2682 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8153 -0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 0.5667 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 -1.1073 2.4831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 -1.8997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5093 -2.4831 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0927 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038712 > ALDRICH > 575844 > - > - > - > - > 16248018 $$$$ 31 35 0 0 0 0 0 0 0 0 1 V2000 -0.0701 -0.7048 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 0.8248 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 -0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -1.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -2.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 -2.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 -1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 2.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 2.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 2.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -0.0351 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 -0.8627 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 0.6479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 29 1 1 6 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 29 2 1 6 0 0 0 3 4 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015702 > ALDRICH > 345237 > - > - > - > - > 16248018 $$$$ 7 2 0 0 0 0 0 0 0 0 1 V2000 0.1400 0.0549 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -1.4449 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.5549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 0.7349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 -0.6449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 0.8349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 -0.6449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00797352 > ALDRICH > 481157 > - > - > - > - > 16248018 $$$$ 37 38 0 0 0 0 0 0 0 0 1 V2000 0.3529 0.5064 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 3.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 3.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 -1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 -0.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 -3.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 -3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 -2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 -1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 4 7 2 0 0 0 6 8 1 0 0 0 2 9 1 0 0 0 8 10 2 0 0 0 9 11 2 0 0 0 10 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 8 1 0 0 0 11 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 9 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 22 25 2 0 0 0 24 26 1 0 0 0 20 27 1 0 0 0 26 28 2 0 0 0 27 29 2 0 0 0 28 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 26 1 0 0 0 29 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 27 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051942 > ALDRICH > 227994 > - > - > - > - > 16248018 $$$$ 15 10 0 0 0 0 0 0 0 0 1 V2000 -2.5676 -0.2528 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1060 -0.2573 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8680 0.1682 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2961 0.1504 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8234 0.1616 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6048 0.1616 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5676 -1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 1.0728 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 1.8695 -0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -0.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 -0.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 0.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 0.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 4 1 1 0 5 2 1 0 6 2 1 0 7 1 2 0 8 2 2 0 10 11 1 0 11 12 1 0 13 14 1 0 14 15 1 0 M CHG 7 1 1 2 1 3 -1 4 -1 5 -1 6 -1 9 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149819 > ALDRICH > 76070 > - > - > - > - > 16248018 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 6.1208 -6.4708 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -5.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -7.1208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -5.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -7.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044991 > ALDRICH > 400076 > FLUKA > 03590 > - > - > 16248018 $$$$ 10 4 0 0 0 0 0 0 0 0 1 V2000 1.9583 -4.5583 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 6.1417 -4.5875 0.0000 Pd 0 6 0 0 0 0 0 0 0 0 0 0 6.1375 -3.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -4.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -4.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -4.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -5.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -4.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -3.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 2 1 2 2 -2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00049783 > ALDRICH > 464759 > - > - > - > - > 16248018 $$$$ 47 50 0 0 0 0 0 0 0 0 1 V2000 3.6125 -2.2911 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -2.8707 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.6911 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3822 -2.2898 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.8384 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 -0.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 -0.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 -1.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 -1.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 -2.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 -1.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 -2.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6822 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 -3.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 -3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -3.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 -4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 -3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 -3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8367 -2.2976 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 -3.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 -3.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8296 -3.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -3.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 -2.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8274 -2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 -2.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0273 -2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 -1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7248 -2.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7299 -1.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7681 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 -1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8076 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4055 -0.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3065 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 20 25 1 0 0 0 0 4 19 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 6 11 1 0 0 0 0 4 5 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 13 18 1 0 0 0 0 4 12 1 0 0 0 0 19 20 2 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 28 31 2 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 30 32 1 0 0 0 0 28 33 1 0 0 0 0 26 27 1 0 0 0 0 34 35 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 26 34 1 0 0 0 0 41 42 1 0 0 0 0 41 44 2 0 0 0 0 42 45 2 0 0 0 0 43 45 1 0 0 0 0 43 46 2 0 0 0 0 44 46 1 0 0 0 0 42 47 1 0 0 0 0 26 41 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00274659 > ALDRICH > 453048 > - > - > - > - > 16248018 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.1667 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -1.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 4 2 0 0 0 0 14 7 1 0 0 0 0 15 6 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 8 9 2 0 0 0 0 16 14 2 0 0 0 0 17 12 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192008 > ALDRICH > 398799 > - > - > - > - > 16248018 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.6365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -0.0586 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2095 -0.0586 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1295 -1.9348 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011173 > ALDRICH > 205788 > - > - > - > - > 16248018 $$$$ 57 64 0 0 0 0 0 0 0 0 1 V2000 0.8224 -1.0609 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -1.8099 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 -1.8466 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 1.8320 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -0.3083 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.2307 -2.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -2.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 -2.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 -2.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -3.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 -3.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3891 -3.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -3.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 -3.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -2.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 3.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 3.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 3.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 -0.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -4.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 -4.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -4.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -4.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -4.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 -2.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 4.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 4.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 4.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 -2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7213 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 -4.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 -3.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 3.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 4.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7213 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 20 2 0 0 0 0 8 21 1 0 0 0 0 10 22 2 0 0 0 0 10 23 1 0 0 0 0 11 24 2 0 0 0 0 11 25 1 0 0 0 0 13 26 2 0 0 0 0 13 27 1 0 0 0 0 14 28 2 0 0 0 0 14 29 1 0 0 0 0 16 30 2 0 0 0 0 16 31 1 0 0 0 0 17 32 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 2 0 0 0 0 20 36 1 0 0 0 0 21 37 2 0 0 0 0 22 38 1 0 0 0 0 23 39 2 0 0 0 0 24 40 1 0 0 0 0 25 41 2 0 0 0 0 26 42 1 0 0 0 0 27 43 2 0 0 0 0 28 44 1 0 0 0 0 29 45 2 0 0 0 0 30 46 1 0 0 0 0 31 47 2 0 0 0 0 32 48 1 0 0 0 0 33 49 2 0 0 0 0 34 50 2 0 0 0 0 35 50 1 0 0 0 0 36 51 2 0 0 0 0 37 51 1 0 0 0 0 38 52 2 0 0 0 0 39 52 1 0 0 0 0 40 53 2 0 0 0 0 41 53 1 0 0 0 0 42 54 2 0 0 0 0 43 54 1 0 0 0 0 44 55 2 0 0 0 0 45 55 1 0 0 0 0 46 56 2 0 0 0 0 47 56 1 0 0 0 0 48 57 2 0 0 0 0 49 57 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015621 > ALDRICH > 434345 > - > - > - > - > 16248018 $$$$ 5 2 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.0149 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.7649 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.7649 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 1.1548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 -1.1549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00058860 > ALDRICH > 464724 > - > - > - > - > 16248018 $$$$ 8 2 0 0 0 0 0 0 0 0 1 V2000 -0.9793 -1.4051 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 -0.9926 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 -1.4051 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 1.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5898 1.0098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -2.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00151033 > ALDRICH > 323438 > - > - > - > - > 16248018 $$$$ 8 2 0 0 0 0 0 0 0 0 1 V2000 -0.9793 -1.4051 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 -0.9926 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 -1.4051 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 1.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5898 1.0098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -2.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00151033 > ALDRICH > 205826 > - > - > - > - > 16248018 $$$$ 10 4 0 0 0 0 0 0 0 0 1 V2000 1.9583 -4.5583 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 6.1417 -4.5875 0.0000 Pd 0 6 0 0 0 0 0 0 0 0 0 0 6.1375 -3.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -4.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -4.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -4.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -5.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -4.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -3.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 2 1 2 2 -2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00049783 > ALDRICH > 575704 > - > - > - > - > 16248018 $$$$ 41 44 0 0 0 0 0 0 0 0 1 V2000 5.6719 -3.1999 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -2.5999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -3.7999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 -3.1949 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.6284 -3.7180 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2284 -3.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -4.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2161 -4.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 -4.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -3.1878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4285 -3.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8286 -3.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 -3.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 -2.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 -2.6789 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3469 -2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -1.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -2.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 -3.2020 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8444 -3.7216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1444 -4.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8444 -4.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2444 -4.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9444 -4.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2444 -3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8444 -2.6824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2444 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9444 -2.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2444 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8444 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 -2.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7444 -3.2020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0444 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9444 -3.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 -3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0444 -3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 4 17 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 4 11 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 23 24 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 30 35 1 0 0 0 0 23 30 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 36 41 1 0 0 0 0 23 36 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191830 > ALDRICH > 403237 > - > - > - > - > 16248018 $$$$ 47 51 0 0 0 0 0 0 0 0 1 V2000 2.1298 -2.2644 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -4.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -4.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -2.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 2.2556 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 1.5411 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 4.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 4.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 1.8168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 2.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6929 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 4.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 2.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 2.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3429 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 2 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 2 2 0 4 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 4 1 0 20 21 1 0 21 22 1 0 20 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 22 1 0 29 30 1 0 29 31 1 0 29 32 1 0 31 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 31 1 0 30 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 30 2 0 32 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 32 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010395 > ALDRICH > 277665 > - > - > - > - > 16248018 $$$$ 5 2 0 0 0 0 0 0 0 0 1 V2000 6.0083 -6.3833 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -5.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -7.1333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -7.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011621 > ALDRICH > 203955 > - > - > - > - > 16248018 $$$$ 24 24 0 0 0 0 0 0 0 0 1 V2000 2.2958 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.5208 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.4667 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8875 1.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2958 -0.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 1 2 0 0 0 0 14 2 2 0 0 0 0 15 6 2 0 0 0 0 16 5 2 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 10 1 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 16 23 1 0 0 0 0 15 24 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00167386 > ALDRICH > 364282 > - > - > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003558 > ALDRICH > 323373 > RIEDEL > 14757 > - > - > 16248018 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 4.4374 -3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 -3.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -2.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 -3.3646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2168 -3.8824 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.6635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -2.8468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -3.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5139 -3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -2.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 -3.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2541 -3.8511 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 -3.6323 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -2.8155 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6496 -3.0042 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 1 1 0 0 0 0 1 3 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 2 1 0 0 0 0 15 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013204 > ALDRICH > 299685 > FLUKA > 76079 > - > - > 16248018 $$$$ 12 8 0 0 0 0 0 0 0 0 1 V2000 5.3871 -3.6077 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9049 -3.3087 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9049 -2.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4228 -3.6077 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1287 -3.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 -3.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 -3.6077 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8337 -3.3087 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8337 -2.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 -3.6077 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8292 -4.6208 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M CHG 7 1 -1 2 1 4 -1 8 -1 9 1 11 -1 12 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149818 > ALDRICH > 205761 > - > - > - > - > 16248018 $$$$ 60 60 0 0 0 0 0 0 0 0 1 V2000 -5.4474 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 -0.1232 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 2.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 1.6141 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 3.0380 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4474 2.3260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 -2.2286 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -3.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -3.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -1.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 3.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 2 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 2 0 0 0 12 11 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 12 2 0 0 0 9 18 2 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 25 2 0 0 0 31 29 1 0 0 0 32 31 2 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 2 0 0 0 36 35 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 36 2 0 0 0 33 42 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 43 2 0 0 0 49 47 1 0 0 0 50 49 2 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 53 52 2 0 0 0 54 53 1 0 0 0 54 55 1 0 0 0 55 56 2 0 0 0 56 57 1 0 0 0 57 58 2 0 0 0 58 59 1 0 0 0 59 54 2 0 0 0 51 60 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075479 > ALDRICH > 366315 > FLUKA > 93326 > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003558 > ALDRICH > 520659 > RIEDEL > 14757 > - > - > 16248018 $$$$ 47 50 0 0 0 0 0 0 0 0 1 V2000 4.3822 0.1934 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5572 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 2.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 -0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 -2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 0.2363 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 2.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 1.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 -0.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 -0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -0.1934 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8592 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0967 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8592 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 -1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 -2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -2.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 -2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 -1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 2 2 0 0 0 4 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 4 1 0 0 0 3 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 3 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 20 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 30 2 0 0 0 32 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 32 1 0 0 0 31 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 31 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010013 > ALDRICH > 225452 > FLUKA > 15254 > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003558 > ALDRICH > 14814 > RIEDEL > 14757 > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003558 > ALDRICH > 76050 > RIEDEL > 14757 > - > - > 16248018 $$$$ 53 54 0 0 0 0 0 0 0 0 1 V2000 -1.4565 1.4907 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.1710 1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 3.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 1.9032 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.0276 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 1.9032 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.4013 1.4907 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 2.1158 1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 3.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 3.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 3.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1863 3.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 3.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 1.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -0.8480 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 -2.9351 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.4718 -2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4718 -1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 -1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 -2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -2.5226 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.3284 -2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 -2.5226 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.1006 -2.9351 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 1.8150 -2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 -3.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 -2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6127 -2.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 -2.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -3.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 3 2 0 0 0 8 1 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 9 13 2 0 0 0 12 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 12 1 0 0 0 7 19 1 0 0 0 19 20 1 0 0 0 5 21 1 0 0 0 21 22 1 0 0 0 17 23 1 0 0 0 23 24 1 0 0 0 15 25 1 0 0 0 25 26 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 29 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 30 2 0 0 0 35 28 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 36 40 2 0 0 0 39 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 39 1 0 0 0 34 46 1 0 0 0 46 47 1 0 0 0 32 48 1 0 0 0 48 49 1 0 0 0 42 50 1 0 0 0 50 51 1 0 0 0 44 52 1 0 0 0 52 53 1 0 0 0 M RAD 1 1 2 M RAD 1 8 2 M RAD 1 10 2 M RAD 1 11 2 M RAD 1 28 2 M RAD 1 35 2 M RAD 1 37 2 M RAD 1 38 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 ^OCH3 M SBV 1 20 -10.0576 6.6199 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 22 M SMT 2 OCH3 M SBV 2 22 -8.9896 7.2365 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 24 M SMT 3 OCH3 M SBV 3 24 -8.9896 7.2365 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 26 M SMT 4 OCH3 M SBV 4 26 -8.9896 6.4144 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 46 47 M SBL 5 1 47 M SMT 5 ^OCH3 M SBV 5 47 -10.0576 6.6199 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 48 49 M SBL 6 1 49 M SMT 6 OCH3 M SBV 6 49 -8.9896 7.2365 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 2 50 51 M SBL 7 1 51 M SMT 7 OCH3 M SBV 7 51 -8.9896 6.4144 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 2 52 53 M SBL 8 1 53 M SMT 8 OCH3 M SBV 8 53 -8.9896 7.2365 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07369799 > ALDRICH > 656933 > - > - > - > - > 16248018 $$$$ 9 6 0 0 0 0 0 0 0 0 1 V2000 1.4982 0.0553 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 0.7673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -0.7697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -0.6592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 7 8 1 0 0 0 8 9 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 4 5 6 M SMT 1 CH3C^N M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 7 8 9 M SMT 2 CH3C^N M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013122 > ALDRICH > 225657 > FLUKA > 76055 > - > - > 16248018 $$$$ 47 51 0 0 0 0 0 0 0 0 1 V2000 -0.4087 0.9926 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 0.5801 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 1.5759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 2.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1237 2.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 2.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 2.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 -0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 -0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 0.3409 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 -2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 -2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 -2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3882 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3882 -2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 -1.1630 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 3 1 0 4 8 2 0 7 9 2 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 10 15 1 0 10 28 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 16 21 1 0 16 28 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 22 27 1 0 22 28 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 29 34 1 0 29 47 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 35 40 1 0 35 47 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 41 46 1 0 41 47 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SAL 1 4 25 26 27 28 M SMT 1 (Ph)3^P M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 M SAL 2 4 44 45 46 47 M SMT 2 (Ph)3^P M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06411335 > ALDRICH > 643742 > - > - > - > - > 16248018 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011172 > ALDRICH > 203971 > - > - > - > - > 16248018 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.4332 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0016 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -0.0442 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 0.6491 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -0.6897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 4 2 0 0 0 1 5 1 0 0 0 3 6 1 0 0 0 5 6 1 0 0 0 4 7 1 0 0 0 2 8 1 0 0 0 8 7 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012412 > ALDRICH > 275891 > - > - > - > - > 16248018 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 PdCl2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003558 > ALDRICH > 205885 > RIEDEL > 14757 > - > - > 16248018 $$$$ 5 2 0 0 0 0 0 0 0 0 1 V2000 -1.6658 -0.5801 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 0.1319 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8437 -0.5801 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064681 > ALDRICH > 398381 > - > - > - > - > 16248018 $$$$ 27 26 0 0 0 0 0 0 0 0 1 V2000 -0.1302 -2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5843 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5843 -0.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.0871 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 0.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8877 1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8877 0.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 2.8592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8877 1.7362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 1.4353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -1.4353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 -2.5583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 -2.8592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 -2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 -1.4353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -1.7362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -2.8592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8447 2.8592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 2.5583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 1.4353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 2 3 1 0 0 0 5 1 1 0 0 0 5 6 2 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 10 7 1 0 0 0 10 11 2 0 0 0 3 4 1 0 0 0 9 4 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 2 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 5 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 8 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 11 M SMT 1 ^CF3 M SBV 1 11 -6.7533 3.9055 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 15 M SMT 2 CF3 M SBV 2 15 -5.3268 3.0805 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 20 21 22 23 M SBL 3 1 19 M SMT 3 ^CF3 M SBV 3 19 -6.7533 3.0805 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 24 25 26 27 M SBL 4 1 23 M SMT 4 CF3 M SBV 4 23 -5.3268 3.9055 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015709 > ALDRICH > 401471 > - > - > - > - > 16248018 $$$$ 41 46 0 0 0 0 0 0 0 0 1 V2000 -0.8792 0.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 -0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6875 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.0208 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 5 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 3 2 0 0 0 0 19 6 1 0 0 0 0 20 5 1 0 0 0 0 21 4 2 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 10 1 0 0 0 0 25 11 1 0 0 0 0 26 19 1 0 0 0 0 27 18 1 0 0 0 0 28 21 1 0 0 0 0 29 20 1 0 0 0 0 30 23 1 0 0 0 0 31 22 1 0 0 0 0 32 25 1 0 0 0 0 33 24 1 0 0 0 0 34 29 1 0 0 0 0 35 27 1 0 0 0 0 36 28 1 0 0 0 0 37 26 1 0 0 0 0 38 30 1 0 0 0 0 39 32 1 0 0 0 0 40 33 1 0 0 0 0 41 31 1 0 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 8 16 1 0 0 0 0 17 9 1 0 0 0 0 22 8 1 0 0 0 0 9 23 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192364 > ALDRICH > 392014 > - > - > - > - > 16248018 $$$$ 21 21 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.9487 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -0.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -1.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 1.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 1.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -1.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 -0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 3 1 0 7 6 1 0 8 4 1 0 9 8 1 0 10 2 1 0 11 10 1 0 12 5 1 0 13 12 1 0 12 14 2 0 8 15 2 0 6 16 2 0 10 17 2 0 7 18 1 0 9 19 1 0 13 20 1 0 11 21 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134416 > ALDRICH > 375543 > - > - > - > - > 16248018 $$$$ 57 62 0 0 0 0 0 0 0 0 1 V2000 -0.8138 0.2234 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -0.7906 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 1.2633 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 -2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 -2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5519 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5519 -2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 -2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5519 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -1.2633 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 0.7906 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 -2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 -2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 -2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2787 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2787 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8362 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 4 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 4 1 0 0 0 2 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 2 1 0 0 0 7 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 7 1 0 0 0 5 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 26 5 1 0 0 0 6 27 1 0 0 0 27 28 1 0 0 0 26 29 2 0 0 0 29 25 1 0 0 0 3 28 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 32 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 32 1 0 0 0 30 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 30 1 0 0 0 35 46 2 0 0 0 46 47 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 50 35 1 0 0 0 33 51 2 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 54 33 1 0 0 0 34 55 1 0 0 0 55 56 1 0 0 0 54 57 2 0 0 0 57 53 1 0 0 0 31 56 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009880 > ALDRICH > 230278 > - > - > - > - > 16248018 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 6.1208 -6.4708 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -5.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -7.1208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -5.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -7.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044991 > ALDRICH > 574902 > FLUKA > 03590 > - > - > 16248018 $$$$ 16 12 0 0 0 0 0 0 0 0 1 V2000 4.5934 -3.1604 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 3.9360 -4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4556 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -4.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -3.1078 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 -2.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 -2.9578 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9842 -3.2578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 -3.8192 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -4.0244 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3197 -3.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 -4.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 -3.8744 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9009 -4.1744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -4.7359 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 5 9 1 0 0 0 0 5 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 11 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 15 16 1 0 0 0 0 G 9 5 SK G 15 11 SK M CHG 3 1 2 8 -1 14 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 9 10 M SBL 1 1 1 M SDI 1 4 1.1300 -3.0600 1.2000 -3.3400 M SMT 1 SK M SBV 1 1 0.5700 0.1500 M SAL 2 2 15 16 M SBL 2 1 8 M SDI 2 4 2.0500 -3.9700 2.1200 -4.2600 M SMT 2 SK M SBV 2 8 0.5600 0.1500 M SDS EXP 2 1 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863569 > ALDRICH > 495034 > - > - > - > - > 16248018 $$$$ 17 14 0 0 0 0 0 0 0 0 1 V2000 5.7207 -3.2657 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 -3.8732 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -2.6821 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9784 -3.2709 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.3486 -2.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 -2.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 -3.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -4.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -3.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 -3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 -3.2709 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.2019 -2.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -2.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 -3.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5102 -4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4074 -3.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 0 0 0 9 10 1 0 0 0 0 4 9 1 0 0 0 0 5 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 11 14 1 0 0 0 0 16 17 1 0 0 0 0 11 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191831 > ALDRICH > 414050 > - > - > - > - > 16248018 $$$$ 15 8 0 0 0 0 0 0 0 0 1 V2000 -4.6670 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1552 -0.0751 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -1.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 -0.6997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 -2.3755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -0.8286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -2.3325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1537 1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 2.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00274619 > ALDRICH > 436380 > - > - > - > - > 16248018 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 2.0904 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8529 1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8529 0.2623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 0.2636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 -1.6926 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0603 -1.1092 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -1.6926 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 4 7 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134305 > ALDRICH > 365947 > - > - > - > - > 16248018 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 -0.1693 0.0000 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.1693 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1693 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0511 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0511 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 4 5 3 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 6 1 0 0 0 12 13 3 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 14 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013123 > ALDRICH > 223689 > FLUKA > 14536 > - > - > 16248018 $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 3.1725 -1.6146 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.5725 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3975 -1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 -2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 -1.6771 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 -1.0771 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6921 -1.9771 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -2.8641 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.2670 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -2.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7449 -3.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -4.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2572 -4.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -3.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799511 > ALDRICH > 469149 > - > - > - > - > 16248018 $$$$ 45 48 0 0 0 0 0 0 0 0 1 V2000 -0.8425 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -0.5213 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -2.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -2.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8582 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5068 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3289 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5068 -3.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -4.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3289 -3.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 -2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 1.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6137 3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6137 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 3.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 2.2630 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 3.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 3.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 4.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 1.8505 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 3 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 7 1 0 9 14 1 0 14 15 1 0 14 16 1 0 11 17 1 0 17 18 1 0 17 19 1 0 13 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 21 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 27 1 0 21 8 1 0 8 28 1 0 20 33 1 0 20 34 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 35 2 0 38 41 1 0 42 43 1 0 43 44 1 0 44 39 1 0 41 45 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____704954 > ALDRICH > 704954 > - > - > - > - > 16248018 $$$$ 12 10 0 0 0 0 0 0 0 0 1 V2000 3.7708 -4.0875 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3942 -4.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -3.7042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -4.0875 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -3.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 7 8 1 0 0 0 0 3 4 2 0 0 0 0 8 9 1 0 0 0 0 1 2 1 0 0 0 0 9 10 2 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01074457 > ALDRICH > 700045 > - > - > - > - > 16248018 $$$$ 41 42 0 0 0 0 0 0 0 0 1 V2000 -0.2556 3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 3.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 2.2630 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 3.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5644 3.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 4.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 1.8505 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 -0.5213 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -2.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 -2.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 -3.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -4.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -3.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5572 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5572 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 8 9 1 0 9 10 1 0 10 5 1 0 7 11 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 13 18 1 0 14 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 18 1 0 20 25 1 0 25 26 1 0 25 27 1 0 22 28 1 0 28 29 1 0 28 30 1 0 24 31 1 0 31 32 1 0 31 33 1 0 19 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 19 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 34 35 36 37 M SBL 1 1 35 M SMT 1 t-Bu M SBV 1 35 -0.7145 -0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 38 39 40 41 M SBL 2 1 39 M SMT 2 t-Bu M SBV 2 39 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____708739 > ALDRICH > 708739 > - > - > - > - > 16248018 $$$$ 46 48 0 0 0 0 0 0 0 0 1 V2000 -1.9415 -1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0735 -1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 -1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 0.1431 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1901 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -3.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -3.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 -0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 3.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 2.2444 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 2.8288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 3.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 1.4195 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 13 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 20 1 0 7 26 1 0 26 27 1 0 3 29 1 0 28 29 1 0 32 30 1 0 30 31 1 0 32 33 1 0 32 34 1 0 32 35 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 36 1 0 40 42 1 0 43 44 1 0 44 45 1 0 45 41 1 0 42 46 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -0.4111 0.7120 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 31 M SMT 2 CH3^O M SBV 2 31 -0.4111 -0.7120 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____704946 > ALDRICH > 704946 > - > - > - > - > 16248018 $$$$ 32 30 0 0 0 0 0 0 0 0 1 V2000 6.1770 -3.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 -3.5853 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4262 -4.3542 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 -5.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -5.2018 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.3727 -4.1197 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -4.4502 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -4.4197 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 -3.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4855 -3.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -3.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -3.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 -3.5853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6534 -4.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 -3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 -2.9895 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6555 -2.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 -3.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4597 -2.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5294 -5.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 -4.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 -5.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 -4.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -5.0492 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6229 -4.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -5.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -5.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -5.8018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6394 -5.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -6.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 -5.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 1 2 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 21 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 10 1 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 G 13 2 t-Bu G 17 2 t-Bu G 25 5 t-Bu G 29 5 t-Bu M RAD 8 1 2 4 2 9 2 10 2 11 2 12 2 21 2 22 2 M RAD 2 23 2 24 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 4 9 SUP 10 SUP 11 SUP 12 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 4 9 9 10 10 11 11 12 12 M SAL 1 1 11 M SBL 1 2 21 1 M SMT 1 C• M SBV 1 21 -0.3500 0.2600 M SBV 1 1 0.6000 0.0000 M SAL 2 1 10 M SBL 2 2 20 27 M SMT 2 C• M SBV 2 20 -0.6600 -0.2000 M SBV 2 27 0.6900 -0.1700 M SAL 3 4 13 14 15 16 M SBL 3 1 3 M SMT 3 t-Bu M SBV 3 3 -0.6000 0.0000 M SAL 4 4 17 18 19 20 M SBL 4 1 4 M SMT 4 t-Bu M SBV 4 4 0.0000 -0.6000 M SAL 5 1 21 M SBL 5 2 9 11 M SMT 5 C• M SBV 5 9 0.6500 0.2000 M SBV 5 11 -0.7000 0.1700 M SAL 6 4 25 26 27 28 M SBL 6 1 17 M SMT 6 t-Bu M SBV 6 17 -0.5900 -0.1600 M SAL 7 1 22 M SBL 7 2 10 15 M SMT 7 C• M SBV 7 10 0.3500 -0.2600 M SBV 7 15 -0.6000 0.0000 M SAL 8 1 9 M SBL 8 2 20 21 M SMT 8 C• M SBV 8 20 0.6600 0.2000 M SBV 8 21 0.3500 -0.2600 M SAL 9 1 23 M SBL 9 2 11 16 M SMT 9 C• M SBV 9 11 0.7000 -0.1700 M SBV 9 16 0.4000 0.2900 M SAL 10 1 12 M SBL 10 2 1 2 M SMT 10 C• M SBV 10 1 -0.6000 0.0000 M SBV 10 2 0.4000 0.2900 M SAL 11 1 24 M SBL 11 2 15 16 M SMT 11 C• M SBV 11 15 0.6000 0.0000 M SBV 11 16 -0.4000 -0.2900 M SAL 12 4 29 30 31 32 M SBL 12 1 18 M SMT 12 t-Bu M SBV 12 18 0.0000 0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08064219 > ALDRICH > 701602 > - > - > - > - > 16248018 $$$$ 40 42 0 0 0 0 0 0 0 0 1 V2000 3.2145 -1.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 -1.7145 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.7833 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -0.9506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1981 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -1.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3704 -1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -2.4833 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 -2.2489 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 5.0495 -2.5794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -2.5489 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -4.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9250 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -5.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -3.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6500 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -3.3310 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.8678 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -3.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 -3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -3.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 -3.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 33 35 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 2 7 1 0 0 0 0 9 10 1 0 0 0 0 34 1 1 0 0 0 0 35 36 1 0 0 0 0 1 36 1 0 0 0 0 1 2 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 3 4 1 0 0 0 0 31 37 1 0 0 0 0 31 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 31 32 1 0 0 0 0 25 32 1 0 0 0 0 19 32 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 10 1 0 0 0 0 M RAD 8 1 2 31 2 33 2 34 2 35 2 36 2 37 2 38 2 M RAD 2 39 2 40 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SAL 1 1 35 M SBL 1 2 5 20 M SMT 1 C• M SBV 1 5 -0.3500 0.2600 M SBV 1 20 0.6000 0.0000 M SAL 2 1 33 M SBL 2 2 1 5 M SMT 2 C• M SBV 2 1 0.6600 0.2100 M SBV 2 5 0.3500 -0.2600 M SAL 3 1 36 M SBL 3 2 20 21 M SMT 3 C• M SBV 3 20 -0.6000 0.0000 M SBV 3 21 0.4000 0.2900 M SAL 4 1 37 M SBL 4 2 29 31 M SMT 4 C• M SBV 4 29 0.7200 0.3800 M SBV 4 31 -0.6300 0.3500 M SAL 5 1 34 M SBL 5 2 1 19 M SMT 5 C• M SBV 5 1 -0.6600 -0.2100 M SBV 5 19 0.6900 -0.1800 M SAL 6 1 38 M SBL 6 2 30 32 M SMT 6 C• M SBV 6 30 0.3600 -0.2600 M SBV 6 32 -0.6000 0.0000 M SAL 7 1 39 M SBL 7 2 31 33 M SMT 7 C• M SBV 7 31 0.6300 -0.3500 M SBV 7 33 0.3900 0.2900 M SAL 8 1 40 M SBL 8 2 32 33 M SMT 8 C• M SBV 8 32 0.6000 0.0000 M SBV 8 33 -0.3900 -0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656081 > ALDRICH > 701998 > - > - > - > - > 16248018 $$$$ 28 26 0 0 0 0 0 0 0 0 1 V2000 -0.5271 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 0.1938 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.9577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4564 1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6287 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.5750 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -0.3405 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 -0.6544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -0.6405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -2.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4231 -3.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -1.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9083 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 -1.4227 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -1.8739 0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5218 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2498 -1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 4 1 0 0 0 0 16 18 1 0 0 0 0 6 7 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 13 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 7 8 1 0 0 0 0 2 7 1 0 0 0 0 22 1 1 0 0 0 0 23 24 1 0 0 0 0 1 24 1 0 0 0 0 1 2 1 0 0 0 0 M RAD 8 1 2 19 2 21 2 22 2 23 2 24 2 25 2 26 2 M RAD 2 27 2 28 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SAL 1 1 23 M SBL 1 2 20 24 M SMT 1 C• M SBV 1 20 -0.3500 0.2600 M SBV 1 24 0.6000 0.0000 M SAL 2 1 24 M SBL 2 2 24 25 M SMT 2 C• M SBV 2 24 -0.6000 0.0000 M SBV 2 25 0.4000 0.2900 M SAL 3 1 25 M SBL 3 2 11 13 M SMT 3 C• M SBV 3 11 0.7200 0.3800 M SBV 3 13 -0.6300 0.3500 M SAL 4 1 21 M SBL 4 2 19 20 M SMT 4 C• M SBV 4 19 0.6500 0.2000 M SBV 4 20 0.3500 -0.2600 M SAL 5 1 26 M SBL 5 2 12 14 M SMT 5 C• M SBV 5 12 0.3600 -0.2600 M SBV 5 14 -0.6000 0.0000 M SAL 6 1 27 M SBL 6 2 13 15 M SMT 6 C• M SBV 6 13 0.6300 -0.3500 M SBV 6 15 0.3900 0.2900 M SAL 7 1 22 M SBL 7 2 19 23 M SMT 7 C• M SBV 7 19 -0.6500 -0.2000 M SBV 7 23 0.7000 -0.1700 M SAL 8 1 28 M SBL 8 2 14 15 M SMT 8 C• M SBV 8 14 0.6000 0.0000 M SBV 8 15 -0.3900 -0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656082 > ALDRICH > 702005 > - > - > - > - > 16248018 $$$$