10 11 0 0 0 0 0 0 0 0 1 V2000 -0.9854 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 -0.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 -0.8237 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 1 6 1 0 4 7 1 0 7 8 1 0 8 9 2 0 5 9 1 0 2 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005681 > ALDRICH > 246239 > FLUKA > 24913 > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.9854 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 -0.6647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 1 0 8 9 2 0 5 9 1 0 1 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005672 > ALDRICH > C47604 > FLUKA > 24903 > - > - > 16269142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -3.0620 0.6378 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -1.0477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -1.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -1.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 0.6092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00055980 > ALDRICH > B5877 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.8214 0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 1.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -0.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4745 0.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 0.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -1.3859 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 8 10 1 0 0 0 9 11 2 0 0 0 10 12 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00022705 > ALDRICH > B2761 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.1359 1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 1.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1359 0.2275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 -1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 -1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 0.3023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 5 7 2 0 0 0 5 8 1 0 0 0 6 9 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 8 11 2 0 0 0 10 12 2 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00057737 > SIGMA > A6375 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 6.9042 -6.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -5.2750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 9 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 4 2 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863677 > ALDRICH > 511528 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 4.7572 -2.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7572 -3.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2768 -3.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -3.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -2.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2768 -2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -3.3446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7198 -2.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2768 -4.0571 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 3 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10000889 > ALDRICH > 687766 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.0797 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 3 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08272232 > ALDRICH > 696218 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 5.6469 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 -3.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -3.6837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -3.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2454 -2.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 -3.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 -2.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 -3.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6898 -4.0244 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 3 1 0 0 0 0 2 10 2 0 0 0 0 5 11 2 0 0 0 0 9 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00774354 > ALDRICH > 679127 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.4731 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -3.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4356 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 -2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -4.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 3 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00022796 > ALDRICH > 675040 > - > - > - > - > 16269142 $$$$ 21 19 0 0 0 0 0 0 0 0 1 V2000 6.4375 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -5.1583 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.9208 -7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -7.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -5.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1708 -5.1833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7000 -5.9917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2250 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -4.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -6.1958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -6.0875 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9208 -5.2125 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.6542 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -7.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -7.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 3 2 0 0 0 0 13 8 2 0 0 0 0 14 11 2 0 0 0 0 15 5 1 0 0 0 0 16 11 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 6 8 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 4 9 -1 10 -1 17 1 18 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00150468 > ALDRICH > 294403 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.3409 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -0.2199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 2.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 2.7799 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -1.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -2.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00056017 > ALDRICH > A6125 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.9920 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 1 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005670 > ALDRICH > B68607 > FLUKA > 17390 > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.8417 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -1.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.1917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 3 5 1 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00152016 > ALDRICH > 518743 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 5.6771 -6.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -7.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -7.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -7.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -6.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -5.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4751 -7.5006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9706 -6.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4751 -6.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -5.2725 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005665 > ALDRICH > 246220 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -2.1785 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 -0.7949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 0.9525 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 10 9 1 0 11 10 1 0 12 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00130155 > ALDRICH > 376523 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.4500 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 3 5 1 0 0 0 0 11 10 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683530 > ALDRICH > 524867 > - > - > - > - > 16269142 $$$$ 13 15 0 0 0 1 V2000 1.5448 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0.1483 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 2.3414 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 2.4483 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0.1483 -1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0897 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 1.5448 -1.5793 0.0000 N 0 0 0 0 0 0 0 0 0 3.7517 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 3.7517 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0897 -1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3310 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3310 -1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5690 1.0103 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 10 12 2 0 0 0 11 13 1 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 11 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093727 > ALDRICH > 519340 > - > - > - > - > 16269142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.8200 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 -0.7949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 0.6975 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 -0.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 1 10 1 0 11 9 1 0 13 11 1 0 12 13 2 0 13 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00037933 > ALDRICH > 374210 > FLUKA > 17400 > - > - > 16269142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -1.8225 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 1.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -0.2557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 12 14 2 0 0 0 8 15 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005799 > ALDRICH > 135062 > - > - > - > - > 16269142 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.7495 -0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 -0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 -0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 -0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 -1.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 0.2857 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 0.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 1.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -0.6925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 11 12 1 0 0 0 4 13 1 0 0 0 14 12 1 0 0 0 12 15 2 0 0 0 11 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005648 > ALDRICH > B82707 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 1 V2000 0.4621 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0.4621 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 1.6276 -1.3414 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6897 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6897 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 2.7931 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 2.7931 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8621 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8621 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0241 1.3448 0.0000 I 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 6 7 2 0 0 0 8 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00220065 > ALDRICH > 563838 > - > - > - > - > 16269142 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 1.1324 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 -0.2164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4222 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4222 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8456 -1.9500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 5 7 2 0 0 0 5 8 1 0 0 0 6 9 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 8 12 2 0 0 0 10 13 2 0 0 0 11 14 2 0 0 0 11 15 2 0 0 0 12 13 1 0 0 0 13 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00056018 > ALDRICH > A6250 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 1 V2000 0.3793 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0.3793 1.0034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8655 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 1.7414 -0.8759 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8655 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 1.7414 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1103 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8655 -2.5862 0.0000 Br 0 0 0 0 0 0 0 0 0 2.5724 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1103 0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 6 9 2 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799492 > ALDRICH > 473723 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.0792 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 10 5 1 0 0 0 0 6 3 2 0 0 0 0 10 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321301 > ALDRICH > 473731 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.1372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 1.1372 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 9 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06659023 > ALDRICH > 692298 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4043 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 -0.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 0.5114 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 9 10 2 0 8 11 2 0 1 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005719 > ALDRICH > 476994 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.8042 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 4 5 1 0 0 0 0 10 9 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00456998 > ALDRICH > 586552 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4057 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 8 10 2 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02179605 > ALDRICH > 586595 > - > - > - > - > 16269142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 0.2375 0.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6500 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -1.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9750 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 1.8167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 11 1 0 0 0 0 17 11 1 0 0 0 0 5 6 1 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02090067 > ALDRICH > 557749 > - > - > - > - > 16269142 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.3923 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3923 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 -0.7949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -0.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 0.6961 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 4 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005637 > ALDRICH > B68720 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.8083 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 4 5 1 0 0 0 0 10 9 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191927 > ALDRICH > 127485 > - > - > - > - > 16269142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -1.5744 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -0.7462 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 0.0788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 1.5698 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 -1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 10 1 0 0 0 10 7 1 0 0 0 7 8 2 0 0 0 8 5 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 1 13 1 0 0 0 9 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 14 15 16 17 M SBL 1 1 15 M SMT 1 t-Bu M SBV 1 15 -5.6208 5.1720 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09836210 > ALDRICH > 634050 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.3980 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 -0.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.5601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 1.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 0.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 -1.5456 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 0.9296 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 1 0 8 9 1 0 5 9 1 0 9 10 2 0 8 11 2 0 3 12 1 0 1 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043905 > ALDRICH > 633623 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 1 V2000 0.3897 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0.3897 -0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9034 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 1.7793 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9034 -1.6931 0.0000 C 0 0 0 0 0 0 0 0 0 1.7793 -1.4483 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1207 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8828 2.5483 0.0000 Br 0 0 0 0 0 0 0 0 0 2.5966 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1207 -0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00671502 > ALDRICH > 524336 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 5.9360 -6.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -6.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -5.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -7.1810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -5.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -5.6786 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0045 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 -5.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 -7.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005613 > ALDRICH > C47809 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 2 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00238550 > ALDRICH > 524344 > - > - > - > - > 16269142 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -2.3007 0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 -0.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2199 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 0.9532 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -0.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 -0.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 1 11 1 0 12 10 1 0 13 12 1 0 10 14 2 0 13 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005610 > ALDRICH > 138096 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.4653 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4653 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7508 -1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7508 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 -1.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 0.2850 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1772 0.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 1 10 1 0 0 0 11 9 1 0 0 0 12 11 1 0 0 0 11 13 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00175291 > ALDRICH > 533076 > - > - > - > - > 16269142 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.5738 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -0.7619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1247 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 -1.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 1.5555 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 0.7305 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 1.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 9 5 1 0 7 10 1 0 10 11 1 0 10 12 2 0 6 13 1 0 1 14 1 0 9 8 2 0 9 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040632 > ALDRICH > 139076 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.0355 0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0355 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8876 -1.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8876 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 -0.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4287 0.5276 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 10 1 0 10 8 1 0 8 1 1 0 8 9 2 0 10 11 2 0 5 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014567 > ALDRICH > 140562 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 1 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06659677 > ALDRICH > 692549 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.1372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 1.1372 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 9 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08272228 > ALDRICH > 692557 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3392 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6446 -1.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -0.9894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 1.1231 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02179276 > ALDRICH > 694711 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 5.1075 -2.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 -3.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 -3.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -3.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -2.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 -2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 -3.6404 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7173 -3.5269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 -3.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7173 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 -2.4425 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10000894 > ALDRICH > 691526 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 4.8991 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9384 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9384 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 -4.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8617 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 -3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2937 -2.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 -2.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3813 -4.4781 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 2 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792689 > ALDRICH > 666416 > - > - > - > - > 16269142 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 0.3923 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8048 0.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 2.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6696 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5168 2.5998 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 -0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 -1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 -1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 -2.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8048 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 7 10 1 0 4 16 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 16 17 2 0 11 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 11 12 13 14 15 16 17 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 0.0000 0.8221 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865201 > ALDRICH > 636754 > - > - > - > - > 16269142 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -0.7132 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4132 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 2.0618 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 1 5 1 0 3 10 1 0 5 11 1 0 10 12 1 0 10 13 2 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 10 19 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02681986 > ALDRICH > 633933 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 1 5 1 0 8 10 1 0 4 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00209962 > ALDRICH > 636215 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.7603 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 9 10 2 0 8 11 2 0 6 12 1 0 3 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00047214 > ALDRICH > 597813 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4043 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 -0.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 0.5114 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 8 10 2 0 0 0 9 11 2 0 0 0 1 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00016899 > ALDRICH > 140589 > - > - > - > - > 16269142 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 2.8511 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.7472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 0.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -1.5694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 1 5 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 9 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01569508 > ALDRICH > 679119 > - > - > - > - > 16269142 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.6373 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5763 -1.0227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 -0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5763 0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 1 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 11 M SMT 1 ^CF3 M SBV 1 11 -8.2402 5.5558 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03095341 > ALDRICH > 701068 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 1.2346 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 3 10 1 0 1 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____707058 > ALDRICH > 707058 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 3 10 1 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09027015 > ALDRICH > 707155 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 3 10 1 0 2 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09027021 > ALDRICH > 707147 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 1.2192 1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2249 -0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 1.2285 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 -1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 7 10 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03090642 > ALDRICH > 708798 > - > - > - > - > 16269142 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08272233 > ALDRICH > 703451 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 6.0635 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 -3.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3635 -3.8441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 -3.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 -2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0752 -2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 -3.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 -3.6162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -2.1554 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -2.4371 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 3 1 0 0 0 0 7 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07779519 > ALDRICH > 702307 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.1372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 0.5114 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 1.1372 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 1 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09817420 > ALDRICH > 702315 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 4.4564 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 -3.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 -2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -4.0562 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 3 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06656001 > ALDRICH > 691712 > - > - > - > - > 16269142 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 5.1064 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 -3.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 -2.2615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -4.0583 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 1 10 1 0 0 0 0 3 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09880069 > ALDRICH > 701009 > - > - > - > - > 16269142 $$$$