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 > - > - > - > - > 20541995 $$$$ 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 > - > - > - > - > 20541995 $$$$ 26 27 0 0 0 0 0 0 0 0 1 V2000 -1.7837 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 -1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -1.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2062 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.6159 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 12 13 1 0 0 0 14 4 1 0 0 0 13 15 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 16 18 2 0 0 0 14 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 14 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 19 20 21 22 M SBL 1 1 20 M SMT 1 t-Bu M SBV 1 20 -6.0806 4.3885 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 24 M SMT 2 t-Bu M SBV 2 24 -6.0806 4.3885 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04117716 > ALDRICH > 655414 > - > - > - > - > 20541995 $$$$ 26 26 0 0 0 0 0 0 0 0 1 V2000 -0.9592 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 -0.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 -0.0160 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -1.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.7874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 -1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 0.8024 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 0.1119 0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 -0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7136 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 -1.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 1.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 13 1 0 0 0 0 12 10 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 17 1 0 0 0 0 22 25 1 0 0 0 0 19 26 1 0 0 0 0 15 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08705289 > ALDRICH > 668532 > - > - > - > - > 20541995 $$$$ 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 > - > - > - > - > 20541995 $$$$ 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 > - > - > - > - > 20541995 $$$$ 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 > - > - > - > - > 20541995 $$$$