15 16 0 0 0 0 0 0 0 0 1 V2000 0.9667 0.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5542 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.5208 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 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 9 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 4 6 1 0 0 0 0 15 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274259 > ALDRICH > 450642 > - > - > - > - > 16269276 $$$$ 38 38 0 0 0 0 0 0 0 0 1 V2000 2.9042 -7.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -7.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -5.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -5.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 -6.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 -7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -8.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 -7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 -6.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -6.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 -6.4312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -6.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 -8.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0526 -8.0797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -5.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7707 -6.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0562 -6.8451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3418 -6.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3418 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 -6.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -6.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 -5.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -4.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 -5.1951 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0574 -5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 -4.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 -3.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0549 -3.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -5.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6285 -5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 -5.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6285 -6.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 2 3 1 0 0 0 0 7 8 2 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 11 12 1 0 0 0 0 12 7 1 0 0 0 0 7 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 8 1 0 0 0 0 10 17 1 0 0 0 0 12 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 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 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 28 27 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 35 31 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 36 38 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149226 > ALDRICH > 271462 > - > - > - > - > 16269276 $$$$ 53 55 0 0 0 0 0 0 0 0 1 V2000 7.3042 -6.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -8.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -10.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -5.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -8.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -7.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -10.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -6.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2917 -8.9750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7292 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -6.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -4.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -7.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -7.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -10.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -9.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -9.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -9.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -9.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -9.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 2 2 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 5 2 0 0 0 0 14 6 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 35 1 0 0 0 0 26 38 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 19 2 0 0 0 0 30 20 2 0 0 0 0 31 15 1 0 0 0 0 32 16 1 0 0 0 0 33 9 1 0 0 0 0 34 10 1 0 0 0 0 35 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 2 0 0 0 0 39 27 1 0 0 0 0 40 27 2 0 0 0 0 41 28 2 0 0 0 0 42 28 1 0 0 0 0 43 11 1 0 0 0 0 44 12 1 0 0 0 0 45 19 1 0 0 0 0 46 20 1 0 0 0 0 48 21 1 0 0 0 0 49 22 1 0 0 0 0 51 50 1 0 0 0 0 52 50 1 0 0 0 0 53 47 1 0 0 0 0 5 7 1 0 0 0 0 17 31 2 0 0 0 0 36 25 2 0 0 0 0 6 8 1 0 0 0 0 18 32 2 0 0 0 0 37 26 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150085 > ALDRICH > 861553 > - > - > - > - > 16269276 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 4 5 2 0 0 0 0 12 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192043 > ALDRICH > 418773 > - > - > - > - > 16269276 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 5 4 2 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00511302 > ALDRICH > H57807 > - > - > - > - > 16269276 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 5.2885 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 -7.5808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 -6.3433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 -5.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5782 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8595 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8595 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5782 -7.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 -7.5794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0266 -8.3038 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 -7.9933 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -6.8591 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 7 2 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 1 1 0 0 0 0 4 12 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 G 12 4 CCl3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 10 M SDI 1 4 7.0900 -7.6200 7.3000 -7.2600 M SMT 1 CCl3 M SBV 1 10 -0.7200 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006886 > ALDRICH > 144592 > - > - > - > - > 16269276 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 0.1833 0.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1833 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9542 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 2.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 6 2 0 0 0 0 15 7 2 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 7 6 1 0 0 0 0 20 21 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00799465 > ALDRICH > 467014 > - > - > - > - > 16269276 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.0680 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 4 11 2 0 6 12 2 0 5 13 1 0 13 14 1 0 14 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00044732 > ALDRICH > 427705 > - > - > - > - > 16269276 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 2 11 1 0 3 12 1 0 10 13 1 0 8 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006706 > ALDRICH > A51602 > - > - > - > - > 16269276 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 7.7667 -5.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -6.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -4.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -6.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -5.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -5.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 14 15 1 0 0 0 0 15 9 1 0 0 0 0 16 13 1 0 0 0 0 2 4 1 0 0 0 0 8 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191246 > ALDRICH > 541575 > - > - > - > - > 16269276 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.5089 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 -1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 -1.4559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 1.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.5642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 1 1 0 10 11 2 0 8 12 1 0 9 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00114253 > ALDRICH > 555797 > - > - > - > - > 16269276 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 3.9820 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6964 -6.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 -5.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6964 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6964 -3.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 -4.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -5.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5519 -4.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5519 -3.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -3.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 -3.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -5.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1254 -6.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 -6.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 6 11 2 0 0 0 0 5 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 1 2 2 0 0 0 0 20 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02935490 > ALDRICH > 643688 > - > - > - > - > 16269276 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 2 0 4 12 1 0 12 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01927196 > ALDRICH > 640581 > - > - > - > - > 16269276 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 4 11 2 0 12 13 1 0 12 14 1 0 2 12 1 0 16 17 2 0 16 18 1 0 15 16 1 0 3 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664383 > ALDRICH > 633542 > - > - > - > - > 16269276 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.0291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 2 0 5 12 1 0 4 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00447207 > ALDRICH > 634999 > - > - > - > - > 16269276 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.8563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 10 11 1 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006713 > ALDRICH > 162434 > - > - > - > - > 16269276 $$$$ 23 25 0 0 0 0 0 0 0 0 1 V2000 -2.7555 0.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -0.6662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 -0.2389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 -1.9572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -1.9572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5446 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -1.9246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5446 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -0.7019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 1.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 0.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 2 0 0 0 4 7 2 0 0 0 5 8 1 0 0 0 5 9 2 0 0 0 6 10 1 0 0 0 7 9 1 0 0 0 7 11 1 0 0 0 8 12 1 0 0 0 10 12 2 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 2 0 0 0 18 20 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075823 > SIGMA > P1781 > - > - > - > - > 16269276 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -2.8519 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -1.0449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 1.2049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 1.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 1.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 3.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 -2.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051583 > ALDRICH > 556033 > - > - > - > - > 16269276 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 5.0262 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0262 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8838 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8838 -5.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -6.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -4.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6058 -6.9990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -5.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -6.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 10 13 1 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 1 2 2 0 0 0 0 12 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051734 > ALDRICH > 518654 > FLUKA > 66715 > - > - > 16269276 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00066250 > ALDRICH > L3307 > FLUKA > 62651 > - > - > 16269276 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 5 4 2 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01038386 > ALDRICH > 634980 > - > - > - > - > 16269276 $$$$ 36 39 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 -1.6500 0.0000 O 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 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 6 1 0 0 0 2 11 1 0 0 0 10 12 1 0 0 0 4 13 1 0 0 0 8 14 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 12 1 0 0 0 13 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 13 1 0 0 0 25 14 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 14 1 0 0 0 29 28 1 0 0 0 30 11 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 11 1 0 0 0 34 33 1 0 0 0 34 35 1 0 0 0 29 36 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010555 > ALDRICH > 285676 > - > - > - > - > 16269276 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 7.3375 -6.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -6.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -7.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -6.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -5.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4728 -7.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -6.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 -6.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9005 -7.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6150 -7.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 3 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012731 > SIGMA > D0387 > - > - > - > - > 16269276 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 9 1 0 14 15 2 0 12 16 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005020 > ALDRICH > A28651 > SIGMA > A242 > - > - > 16269276 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006712 > ALDRICH > 123323 > FLUKA > 22581 > - > - > 16269276 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 1 13 1 0 13 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006711 > ALDRICH > 861634 > - > - > - > - > 16269276 $$$$ 29 31 0 0 0 0 0 0 0 0 1 V2000 5.9030 -5.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 -6.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -5.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 -4.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0464 -6.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7608 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7608 -5.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0464 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4728 -6.4069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0464 -3.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -4.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -5.1722 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7620 -4.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -3.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -5.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -6.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -7.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -7.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -7.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -6.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -8.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 -8.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7645 -8.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 -5.1722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4586 -5.8842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -5.5833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 -4.4602 0.0000 F 0 0 0 0 0 0 0 0 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 14 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 15 26 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 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 G 26 15 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 26 27 28 29 M SBL 1 1 25 M SDI 1 4 3.1700 -4.8500 3.3800 -5.2100 M SMT 1 CF3 M SBV 1 25 0.7100 0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006707 > ALDRICH > 861545 > - > - > - > - > 16269276 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 6.5625 -6.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -7.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -5.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -7.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -7.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -4.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -5.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -6.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -6.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 2 4 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00151242 > ALDRICH > X708 > - > - > - > - > 16269276 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2361 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 1 1 0 7 4 1 0 1 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 2 1 0 6 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006885 > ALDRICH > 158828 > - > - > - > - > 16269276 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 1 1 0 8 11 2 0 10 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006699 > ALDRICH > 142026 > - > - > - > - > 16269276 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 2 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006887 > ALDRICH > 158836 > - > - > - > - > 16269276 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 5.0262 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0262 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8838 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8838 -5.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -6.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -4.5229 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6058 -6.9990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -5.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -6.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 10 13 1 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 1 2 2 0 0 0 0 12 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051733 > ALDRICH > 550868 > - > - > - > - > 16269276 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 0.7917 0.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7917 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 11 7 1 0 0 0 0 4 6 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209576 > ALDRICH > 428981 > - > - > - > - > 16269276 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.7125 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 6 5 2 0 0 0 0 14 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191734 > ALDRICH > 386324 > - > - > - > - > 16269276 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 8 12 2 0 0 0 2 13 1 0 0 0 13 14 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 14 M SMT 1 ^OCH3 M SBV 1 14 -8.3015 5.6046 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 15 16 M SBL 2 1 16 M SMT 2 ^OCH3 M SBV 2 16 -7.9455 6.2212 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00023889 > ALDRICH > 329258 > - > - > - > - > 16269276 $$$$