12 13 0 0 0 0 0 0 0 0 1 V2000 0.6975 -0.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 -0.8136 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0928 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 1 5 1 0 3 6 2 0 7 9 1 0 4 8 1 0 5 9 2 0 8 10 2 0 6 11 1 0 5 12 1 0 4 7 2 0 6 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075436 > ALDRICH > 357669 > FLUKA > 24087 > - > - > 16268504 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006756 > ALDRICH > Q809 > FLUKA > 22540 > - > - > 16268504 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 6 11 1 0 2 12 1 0 3 13 1 0 8 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023984 > FLUKA > 35879 > - > - > - > - > 16268504 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 3 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006765 > ALDRICH > H57602 > FLUKA > 55040 > - > - > 16268504 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006756 > ALDRICH > 22550 > FLUKA > 22540 > - > - > 16268504 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006759 > ALDRICH > A79000 > FLUKA > 07330 > - > - > 16268504 $$$$ 13 14 0 0 0 1 V2000 -1.5458 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5458 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2039 -0.6265 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8951 -0.6265 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2039 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8951 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 1.1343 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2370 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 1.1343 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2370 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 2.4762 -0.6265 0.0000 C 0 0 0 0 0 0 0 0 0 2.4762 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 3.8181 0.1409 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683554 > ALDRICH > 525928 > - > - > - > - > 16268504 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 3.8428 -5.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -6.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -7.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 -6.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 -5.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -5.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 -7.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7007 -6.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7007 -5.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 -5.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4211 -7.1600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0100 -7.8803 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -7.5739 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.8363 -6.4396 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 11 8 CBr3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 9 M SDI 1 4 7.0700 -7.2000 7.2800 -6.8400 M SMT 1 CBr3 M SBV 1 9 -0.7200 0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006755 > ALDRICH > 172723 > - > - > - > - > 16268504 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006757 > ALDRICH > 150231 > - > - > - > - > 16268504 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1409 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 1 0 11 13 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006752 > ALDRICH > 160660 > - > - > - > - > 16268504 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.1780 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 0.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2509 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 4 11 1 0 0 0 8 12 1 0 0 0 12 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 13 M SMT 1 ^OCH3 M SBV 1 13 -6.1359 6.4013 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006761 > ALDRICH > 103292 > - > - > - > - > 16268504 $$$$