20 21 0 0 0 0 0 0 0 0 1 V2000 5.9750 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -6.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -6.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 15 11 2 0 0 0 0 16 10 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 2 7 2 0 0 0 0 18 12 2 0 0 0 0 13 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00149578 > A > 246344 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.4994 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00005031 > A > 220604 > - > - > - > - $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 4.2491 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 -6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1068 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1068 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5293 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 -6.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 10 19 1 0 0 0 0 2 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00056821 > A > 386677 > - > - > - > - $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -2.4994 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 1.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 15 16 1 0 15 17 2 0 14 18 1 0 12 19 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00075316 > A > 344990 > - > - > - > - $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 12 2 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 16 2 0 0 0 0 20 19 1 0 0 0 0 11 8 2 0 0 0 0 4 5 1 0 0 0 0 20 17 2 0 0 0 0 9 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00192074 > A > 386332 > - > - > - > - $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 11 1 0 16 15 1 0 10 17 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00005027 > A > H35900 > - > - > - > - $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 6.2125 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -7.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -4.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -8.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -7.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -8.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -8.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -8.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 8 1 0 0 0 0 5 2 2 0 0 0 0 12 17 1 0 0 0 0 16 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00150067 > A > A79922 > - > - > - > - $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00022266 > A > 159425 > - > - > - > - $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 4.3833 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -6.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -3.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -6.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -7.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -7.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -6.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 8 1 0 0 0 0 6 2 2 0 0 0 0 11 17 1 0 0 0 0 16 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00150071 > A > A38401 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 2 15 1 0 10 16 1 0 13 17 1 0 17 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00005028 > A > 145688 > - > - > - > - $$$$ 23 23 0 0 0 0 0 0 0 0 1 V2000 4.9125 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -7.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -4.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -4.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -6.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -6.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -5.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 5 2 0 0 0 0 13 7 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 12 1 0 0 0 0 19 18 2 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 4 2 2 0 0 0 0 13 19 1 0 0 0 0 17 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00167258 > A > 377139 > - > - > - > - $$$$ 28 28 0 0 0 0 0 0 0 0 1 V2000 5.7750 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -5.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -3.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -7.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2000 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -5.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -4.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -8.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -8.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 1 1 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 17 2 0 0 0 0 15 7 1 0 0 0 0 16 10 2 0 0 0 0 17 9 1 0 0 0 0 18 7 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 24 15 1 0 0 0 0 25 22 1 0 0 0 0 26 25 1 0 0 0 0 27 23 1 0 0 0 0 28 23 1 0 0 0 0 20 12 2 0 0 0 0 2 3 1 0 0 0 0 8 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16265993 > MFCD00149646 > A > D16606 > F > 02670 > - > - $$$$