18 20 0 0 0 0 0 0 0 0 1 V2000 0.7750 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 0.9375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 6 3 2 0 0 0 0 18 17 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209560 > ALDRICH > 417300 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.7125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 7 1 0 0 0 0 4 6 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191735 > ALDRICH > 402028 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.6458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 10 2 0 0 0 0 9 1 2 0 0 0 0 10 9 1 0 0 0 0 11 2 2 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00218605 > ALDRICH > 438650 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.8400 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 10 13 2 0 0 0 0 9 14 1 0 0 0 0 1 2 2 0 0 0 0 14 15 3 0 0 0 0 G 14 9 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 14 15 M SBL 1 1 14 M SMT 1 CN M SBV 1 14 -0.7100 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192004 > ALDRICH > 401986 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 4.6575 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2163 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2163 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2163 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 -2.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 -2.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 -3.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 -2.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 1 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00138943 > ALDRICH > 383473 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 3 6 2 0 0 0 0 14 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03070543 > ALDRICH > 543764 > - > - > - > - > 16266142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 4.6700 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7092 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7092 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 -2.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 -2.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 -3.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -2.8594 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1522 -2.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 -3.1583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 1 15 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 G 15 1 NO2 M CHG 2 15 1 17 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 15 16 17 M SBL 1 1 14 M SMT 1 NO2 M SBV 1 14 0.5100 -0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192184 > ALDRICH > 402192 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 1 V2000 -0.3517 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3517 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6000 0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 -2.0310 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6000 -2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 2.1379 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8448 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.1379 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8448 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 3.3414 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0483 0.9103 0.0000 F 0 0 0 0 0 0 0 0 0 3.3414 2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 7 12 1 0 0 0 9 13 1 0 0 0 12 14 2 0 0 0 7 10 2 0 0 0 9 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00139060 > ALDRICH > 543624 > - > - > - > - > 16266142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 5.5762 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0071 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0071 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 -5.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 5 12 1 0 0 0 0 6 11 2 0 0 0 0 1 2 2 0 0 0 0 12 13 3 0 0 0 0 G 12 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 11 M SMT 1 CN M SBV 1 11 -0.7200 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052604 > ALDRICH > 383481 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 1 V2000 -0.3552 0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3552 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6000 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 -2.0069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6000 -2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 2.1379 0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0.9138 2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8448 0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 2.1379 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8448 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 3.4483 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2862 0.8517 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.4483 2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 9 13 1 0 0 0 12 14 2 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00139138 > ALDRICH > 383457 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 6 11 2 0 0 0 0 8 12 1 0 0 0 0 5 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 3 0 0 0 0 G 13 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 13 M SMT 1 CN M SBV 1 13 -0.7100 -0.4200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191962 > ALDRICH > 401889 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 4 12 1 0 6 13 2 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017461 > ALDRICH > 417319 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.8401 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5521 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 2 0 0 0 0 1 12 1 0 0 0 0 9 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 3 0 0 0 0 G 13 9 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 13 M SMT 1 CN M SBV 1 13 -0.7100 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191905 > ALDRICH > 401951 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.3542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 9 1 0 0 0 0 4 5 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191849 > ALDRICH > 402168 > - > - > - > - > 16266142 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 1.0291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 0.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4416 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.8527 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 6 11 2 0 0 0 0 8 12 1 0 0 0 0 5 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 10 16 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 G 16 10 NO2 M CHG 2 16 1 18 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 16 17 18 M SBL 1 1 15 M SMT 1 NO2 M SBV 1 15 0.0000 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03094008 > ALDRICH > 543829 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -0.7167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 2 1 0 0 0 0 12 6 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 2 5 1 0 0 0 0 8 10 1 0 0 0 0 19 18 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209563 > ALDRICH > 417424 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 1 V2000 -0.0034 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 -1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 1.2138 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2207 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 1.2138 -2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2207 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 2.4310 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 1.2138 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4379 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 2.4310 -1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4379 -1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 3.6931 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6517 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 3.6931 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8931 0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 9 13 1 0 0 0 12 14 2 0 0 0 13 15 1 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192155 > ALDRICH > 402133 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.0703 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 -0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 0.9726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6073 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 4 10 1 0 0 0 9 10 1 0 0 0 1 11 1 0 0 0 11 12 3 0 0 0 9 13 1 0 0 0 9 14 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084978 > ALDRICH > 477982 > - > - > - > - > 16266142 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 2 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006841 > ALDRICH > 102032 > - > - > - > - > 16266142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.3542 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 10 9 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00239401 > ALDRICH > 417505 > - > - > - > - > 16266142 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 6.3292 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -6.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -6.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 11 9 1 0 0 0 0 4 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209598 > ALDRICH > 417475 > - > - > - > - > 16266142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 9 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017337 > ALDRICH > 513105 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.7120 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 2 0 5 12 1 0 12 13 2 0 12 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017338 > ALDRICH > 532576 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 0.8916 -3.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 1.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3639 1.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017462 > ALDRICH > 419745 > - > - > - > - > 16266142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006913 > ALDRICH > I15807 > - > - > - > - > 16266142 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 -1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 14 17 1 0 2 18 1 0 6 19 1 0 10 20 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006844 > ALDRICH > T66001 > FLUKA > 71155 > SIGMA > N5893 > 16266142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 3.8820 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 -3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -4.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 -3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -2.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9961 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0317 -3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -2.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 -2.8719 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 1 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276791 > ALDRICH > 658014 > - > - > - > - > 16266142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -2.4969 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 1 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08446779 > ALDRICH > 658022 > - > - > - > - > 16266142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 3.2448 -3.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 -4.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -4.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 -4.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 -3.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -3.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -4.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 -4.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 -3.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -3.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -2.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8146 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5266 -3.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9506 -3.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 -2.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.1333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 1 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276793 > ALDRICH > 658030 > - > - > - > - > 16266142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.3535 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -1.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 -1.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 1.2099 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 2.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5434 -1.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701513 > ALDRICH > 543772 > - > - > - > - > 16266142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 5 10 2 0 10 11 1 0 1 11 1 0 1 12 1 0 8 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04974088 > ALDRICH > 578231 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 5 2 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 3 6 2 0 0 0 0 18 17 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664255 > ALDRICH > 576271 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 11 1 0 0 0 0 13 10 2 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 6 3 2 0 0 0 0 18 16 2 0 0 0 0 13 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664254 > ALDRICH > 576263 > - > - > - > - > 16266142 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 -0.8353 1.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0353 0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0353 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 -0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 -1.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 1.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209577 > ALDRICH > 419826 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.0583 -3.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 1.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017329 > ALDRICH > 411035 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 1.0708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 6 7 1 0 0 0 0 11 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03424505 > ALDRICH > 543640 > - > - > - > - > 16266142 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.7360 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 2.2639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5194 -0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5194 2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191736 > ALDRICH > 402095 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3188 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 1 12 1 0 0 0 2 13 1 0 0 0 9 14 1 0 0 0 14 15 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 14 15 M SBL 1 1 15 M SMT 1 CN M SBV 1 15 -3.4185 2.8789 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191957 > ALDRICH > 401935 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.0042 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 8 10 1 0 0 0 0 6 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192381 > ALDRICH > 403407 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 0.8916 -3.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 1.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3639 1.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017486 > ALDRICH > 419788 > - > - > - > - > 16266142 $$$$ 26 28 0 0 0 0 0 0 0 0 1 V2000 -2.9119 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 1.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 14 17 1 0 17 18 1 0 10 19 2 0 6 20 1 0 2 21 1 0 8 22 1 0 23 22 1 0 24 23 1 0 24 25 1 0 22 26 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006837 > ALDRICH > C3308 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 2 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 1 1 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 18 9 1 0 19 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017484 > ALDRICH > 419761 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.8400 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 10 11 2 0 0 0 0 1 12 1 0 0 0 0 9 13 1 0 0 0 0 1 2 1 0 0 0 0 13 14 3 0 0 0 0 G 13 9 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 13 M SMT 1 CN M SBV 1 13 -0.7100 -0.4200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03094001 > ALDRICH > 543632 > - > - > - > - > 16266142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.3035 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 -1.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 2.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2005 1.2049 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701517 > ALDRICH > 550329 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 1 V2000 -0.6034 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6034 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0.5310 -1.2586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7310 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0.5310 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7310 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 1.6586 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8621 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 1.6586 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0.5310 2.6448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8621 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 2.7897 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9897 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 2.7897 -2.5586 0.0000 O 0 0 0 0 0 0 0 0 0 3.9172 -0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 12 15 2 0 0 0 7 9 2 0 0 0 8 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00239435 > ALDRICH > 417491 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 3 7 2 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 1 1 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 12 2 0 0 0 4 18 1 0 0 0 18 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SBV 1 20 -2.3915 3.5595 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017612 > ALDRICH > 419729 > - > - > - > - > 16266142 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -1.4302 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 3 11 1 0 2 12 1 0 6 13 1 0 8 14 1 0 8 15 1 0 1 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00210347 > ALDRICH > 430676 > - > - > - > - > 16266142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006849 > ALDRICH > 303895 > - > - > - > - > 16266142 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 9 18 1 0 0 0 2 19 1 0 0 0 19 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 ^OCH3 M SBV 1 21 -7.1253 6.3945 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017640 > SIGMA > H5405 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 7 11 2 0 0 0 9 12 1 0 0 0 1 13 1 0 0 0 12 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006835 > SIGMA > H4530 > - > - > - > - > 16266142 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 2 18 1 0 0 0 18 19 1 0 0 0 3 20 1 0 0 0 20 21 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 ^OCH3 M SBV 1 20 -7.1253 6.3945 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SBV 2 22 -6.7693 6.1889 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017463 > SIGMA > D1931 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.8554 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 14 18 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017705 > SIGMA > H3905 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 6.4059 -3.3522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4059 -2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -2.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -1.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 -2.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 -2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 -3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 -3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -3.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 -3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 -4.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 -4.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 -4.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 -3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 -3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -3.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 8 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017487 > ALDRICH > 419753 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 2 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 10 11 2 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 9 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006832 > SIGMA > H4280 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 8 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 12 1 0 0 0 6 19 1 0 0 0 18 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 CH3^O M SBV 1 20 -4.3938 4.7337 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017479 > SIGMA > M7922 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 6 18 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016944 > SIGMA > H4405 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 1.3516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 1.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 6 18 1 0 0 0 18 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 ^OCH3 M SBV 1 20 -6.7999 6.7141 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016942 > SIGMA > M8422 > - > - > - > - > 16266142 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 16 18 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017702 > SIGMA > H3780 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 10 11 2 0 8 12 1 0 12 13 1 0 12 14 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006838 > ALDRICH > 189782 > SIGMA > O8755 > - > - > 16266142 $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 3.4756 -5.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -6.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1901 -6.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 -6.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 -5.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1901 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 -6.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3335 -6.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3335 -5.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7636 -6.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 -4.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 -6.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 -7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 -7.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4744 -7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4744 -6.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 -6.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 -8.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1864 -7.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -5.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1917 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 -5.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 2 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 9 21 1 0 0 0 0 22 23 1 0 0 0 0 1 2 2 0 0 0 0 23 24 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006829 > SIGMA > F4043 > - > - > - > - > 16266142 $$$$ 21 24 0 0 0 0 0 0 0 0 1 V2000 -2.1422 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 10 17 2 0 6 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004986 > FLUKA > 70415 > SIGMA > N3633 > - > - > 16266142 $$$$ 21 24 0 0 0 0 0 0 0 0 1 V2000 -2.1422 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 3 1 0 4 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 5 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 14 21 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004985 > SIGMA > N5757 > - > - > - > - > 16266142 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 10 11 2 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00006825 > SIGMA-ALDRICH > F2003 > FLUKA > 46370 > - > - > 16266142 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 -0.3295 -0.5815 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -1.0343 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 1.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 1.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -1.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 -0.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 -1.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3955 -1.6587 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 1 4 1 0 5 6 1 0 6 4 2 0 3 7 1 0 2 8 1 0 9 11 1 0 4 10 1 0 8 11 2 0 10 12 2 0 10 13 1 0 6 14 1 0 7 15 1 0 16 17 1 0 13 17 2 0 12 18 1 0 11 19 1 0 16 20 1 0 3 5 2 0 16 18 2 0 7 9 2 0 M CHG 2 1 1 21 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017589 > FLUKA > 76320 > SIGMA > P1659 > - > - > 16266142 $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 5.3917 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -5.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3583 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -4.9375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9333 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -6.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -6.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -7.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -7.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -7.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 3 1 0 0 0 0 4 7 1 1 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 13 1 0 0 0 0 11 7 2 0 0 0 0 12 11 1 0 0 0 0 13 9 2 0 0 0 0 14 16 1 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 17 6 1 0 0 0 0 8 18 1 6 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 5 3 1 0 0 0 0 10 6 2 0 0 0 0 12 14 2 0 0 0 0 22 23 1 0 0 0 0 2 1 1 0 0 0 0 23 24 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149354 > FLUKA > 22130 > - > - > - > - > 16266142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -1.4840 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 -1.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -0.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 8 12 1 0 0 0 8 13 1 0 0 0 2 14 1 0 0 0 14 15 1 0 0 0 1 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 14 15 M SBL 1 1 15 M SMT 1 ^OCH3 M SBV 1 15 -8.3565 5.7543 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 16 17 M SBL 2 1 17 M SMT 2 ^OCH3 M SBV 2 17 -8.0005 6.3709 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012092 > ALDRICH > 300632 > - > - > - > - > 16266142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.7850 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 0.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 1 14 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01076587 > ALDRICH > 592749 > - > - > - > - > 16266142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -2.6762 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6762 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3227 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3227 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 10 17 2 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SBV 1 20 -6.5901 7.0111 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016923 > SIGMA > M6047 > - > - > - > - > 16266142 $$$$ 15 16 0 0 0 1 V2000 -0.0828 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0828 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 1.1586 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3276 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3276 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 1.1586 -1.9103 0.0000 O 0 0 0 0 0 0 0 0 0 2.4000 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 1.1586 2.3862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5690 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5690 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 2.4000 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 3.6414 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8103 0.9483 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.8103 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 3.6414 2.3759 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 7 12 1 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 12 15 2 0 0 0 7 11 2 0 0 0 9 10 1 0 0 0