6 5 0 0 0 0 0 0 0 0 1 V2000 -1.1244 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4124 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -7.8703 3.2368 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001963 > ALDRICH > 77008 > - > - > - > - > 16317496 $$$$ 5 5 0 0 0 0 0 0 0 0 1 V2000 -1.1245 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 0.7683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 2 4 1 0 4 5 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -0.7120 -0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001269 > ALDRICH > C117609 > FLUKA > 29910 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4829 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.6471 3.8335 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001962 > FLUKA > 05900 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.5368 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.9322 3.9961 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001765 > ALDRICH > 73328 > FLUKA > 92755 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 5.6350 -2.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 -2.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 -2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0495 -1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9216 -1.8811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001935 > ALDRICH > 252522 > FLUKA > 28080 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.4111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.4111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001842 > ALDRICH > T53805 > FLUKA > 91080 > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0692 -0.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 1 2 M SMT 1 CN M SBV 1 2 -0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00078890 > ALDRICH > A5802 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.2482 3.1396 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001873 > ALDRICH > 538248 > FLUKA > 58690 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.8928 3.8271 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001872 > FLUKA > 64040 > - > - > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.8861 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -0.4749 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 0.4749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001884 > ALDRICH > 242489 > FLUKA > 16100 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -5.7956 5.9204 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002826 > ALDRICH > 109924 > FLUKA > 56270 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -5.7956 5.9204 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002826 > ALDRICH > 236357 > FLUKA > 56270 > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8942 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7192 0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -4.5225 4.8805 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001882 > ALDRICH > 295965 > FLUKA > 92746 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -2.9475 1.5068 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001838 > ALDRICH > 269212 > FLUKA > 16000 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.2482 3.1396 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001873 > ALDRICH > I15602 > FLUKA > 58690 > - > - > 16317496 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 2.9912 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 -0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8133 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8133 0.7034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4022 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -0.0086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SMT 1 NH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012851 > ALDRICH > 279994 > FLUKA > 06610 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4240 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 NCCH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001883 > ALDRICH > M1407 > FLUKA > 63390 > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.6173 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -0.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 2 3 4 M SBL 1 1 1 M SMT 1 CHCN M SBV 1 1 -4.1193 2.9029 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001927 > FLUKA > 01710 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.8498 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8498 0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 NCCH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001949 > ALDRICH > 160962 > FLUKA > 14190 > SIGMA > S3629 > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -4.6784 2.9555 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001951 > ALDRICH > 109231 > FLUKA > 18150 > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.8401 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 -0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 4 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -4.3481 3.7820 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001957 > ALDRICH > 234486 > FLUKA > 39339 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.9738 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4551 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 0.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -4.1721 3.6302 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004455 > ALDRICH > A10000 > FLUKA > 00591 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.2342 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8324 -0.6615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8324 0.6615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001972 > ALDRICH > C30000 > FLUKA > 24060 > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 6 7 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001970 > ALDRICH > 130621 > FLUKA > 49730 > - > - > 16317496 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.8221 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 NH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00007572 > ALDRICH > 187364 > FLUKA > 28330 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.7663 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 1.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -4.3455 4.7283 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00037169 > ALDRICH > 66085 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 1.4387 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CH3CH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001968 > ALDRICH > 538264 > FLUKA > 20760 > - > - > 16317496 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -3.9078 -1.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 0.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 -1.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 -1.2275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 0.4118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 2 5 1 0 0 0 5 6 3 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 7 2 0 0 0 8 13 1 0 0 0 11 14 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 14 17 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 1 2 M SMT 1 CN M SBV 1 2 -7.6461 4.4064 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 5 6 M SBL 2 1 4 M SMT 2 CN M SBV 2 4 -6.9315 3.1725 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012848 > ALDRICH > 221147 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0539 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.1505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 1 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -7.5979 5.4953 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043123 > ALDRICH > 55624 > - > - > - > - > 16317496 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -0.1707 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5086 2.7943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2518 2.0240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 1.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -2.7943 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 3 0 0 0 0 3 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012587 > ALDRICH > M28103 > FLUKA > 65620 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.7800 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 CH3(CH2)3CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001974 > ALDRICH > 155098 > FLUKA > 94590 > - > - > 16317496 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.2920 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0053 -1.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 1.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3085 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 -0.6402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6059 -1.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3085 1.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 3 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001868 > FLUKA > 00843 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 5 1 0 0 0 1 3 1 0 0 0 3 4 3 0 0 0 5 6 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001928 > ALDRICH > 131016 > FLUKA > 47980 > - > - > 16317496 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.1051 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 0.0000 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010975 > RIEDEL > 11818 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.5368 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.9322 3.9961 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001765 > ALDRICH > 212849 > FLUKA > 92755 > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0277 0.3560 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001886 > ALDRICH > I6903 > FLUKA > 57673 > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.8861 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -0.4749 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 0.4749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001885 > ALDRICH > C19651 > FLUKA > 22830 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 3 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 2 3 M SBL 1 1 1 M SMT 1 CN M SBV 1 1 -6.6440 3.7218 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 4 5 M SBL 2 1 3 M SMT 2 ^OCH3 M SBV 2 3 -8.0680 4.1329 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001892 > ALDRICH > M9009 > FLUKA > 64690 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 2 0 2 4 1 0 3 5 1 0 5 6 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008071 > ALDRICH > 117641 > FLUKA > 07600 > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.6173 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -0.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 2 3 4 M SBL 1 1 1 M SMT 1 CHCN M SBV 1 1 -4.1193 2.9029 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001927 > FLUKA > 01720 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.4201 3.0536 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001858 > ALDRICH > C22369 > FLUKA > 22990 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.0034 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 0.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -6.6228 4.7423 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004507 > ALDRICH > 69830 > - > - > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0277 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 HOCH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042731 > ALDRICH > 374768 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.6471 4.8648 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001890 > ALDRICH > 228540 > FLUKA > 38980 > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 1.4387 0.3560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 ClCH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001952 > ALDRICH > C69101 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 5.5750 -3.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0946 -3.3271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0946 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2103 -3.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 5 6 3 0 0 0 0 G 5 2 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 2 M SMT 1 CN M SBV 1 2 -0.5100 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042729 > ALDRICH > 81880 > - > - > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0277 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 CH3CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001948 > ALDRICH > 185590 > FLUKA > 81900 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.7800 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 CH3OCH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001958 > ALDRICH > 65290 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.7800 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 CH3OCH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001958 > ALDRICH > 117625 > - > - > - > - > 16317496 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.8221 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011597 > ALDRICH > 16772 > FLUKA > 16776 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4663 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 -0.0126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.4226 4.0694 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001847 > ALDRICH > T72001 > FLUKA > 80930 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 5.7490 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1657 -2.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 -2.9104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 1 2 2 0 0 0 0 5 6 3 0 0 0 0 G 5 2 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 1 M SMT 1 CN M SBV 1 1 -0.5900 0.0000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044798 > ALDRICH > 362360 > - > - > - > - > 16317496 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 4.7008 -6.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7008 -6.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -7.2383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -5.6196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 -7.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4069 -5.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0635 -7.6554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -5.2358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 1 2 0 0 0 0 1 3 1 0 0 0 0 5 7 3 0 0 0 0 2 4 1 0 0 0 0 6 8 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001870 > ALDRICH > 163880 > FLUKA > 33091 > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.1973 0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -5.1190 2.9484 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001976 > ALDRICH > B83207 > FLUKA > 18678 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.8401 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -4.6919 3.2492 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001936 > ALDRICH > 77005 > - > - > - > - > 16317496 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 6.3906 -3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 -3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -2.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 -2.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 -3.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9104 -3.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -3.5858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 7 8 3 0 0 0 0 G 7 1 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -0.5200 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00063014 > ALDRICH > 408786 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.1360 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 1 2 3 4 5 6 7 M SMT 1 CH3CH2NHCH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00087227 > ALDRICH > 476714 > - > - > - > - > 16317496 $$$$ 11 8 0 0 0 0 0 0 0 0 1 V2000 2.7177 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7698 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -0.5313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 -0.5458 0.0000 Mo 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -0.9764 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 -0.1309 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 -0.0652 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 -0.9357 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 3 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191792 > ALDRICH > 400157 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 5.2181 -3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 -3.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 -3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7767 -3.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2963 -3.0563 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -3.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 -3.0438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 1 6 1 0 0 0 0 6 7 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10000896 > ALDRICH > 692581 > - > - > - > - > 16317496 $$$$ 18 15 0 0 0 0 0 0 0 0 1 V2000 0.6744 0.6914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5743 1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 3.2884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5254 -2.0584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9744 0.5384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 -1.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -1.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 -3.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5254 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9743 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9744 -3.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 3 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 3 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 16 17 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00078321 > FLUKA > 09291 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.1256 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 2 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -4.7105 3.3014 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 6 7 M SBL 2 1 5 M SMT 2 CN M SBV 2 5 -4.7078 4.1243 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321253 > ALDRICH > 468789 > - > - > - > - > 16317496 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.8221 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011597 > ALDRICH > 481432 > FLUKA > 16776 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 5.4405 -2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 -3.0669 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 -3.6313 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -3.0317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4792 -2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 -2.3968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 4 1 1 0 0 0 0 5 6 3 0 0 0 0 G 5 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -0.5100 -0.3100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001857 > ALDRICH > 258172 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 4.6625 -3.3229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1821 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2213 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7411 -3.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -3.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 2 1 1 0 0 0 0 5 6 3 0 0 0 0 G 5 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -0.5100 0.3000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001971 > ALDRICH > B59802 > FLUKA > 16570 > - > - > 16317496 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -1.4830 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -0.2601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 4 2 1 0 4 5 1 0 5 6 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041523 > ALDRICH > 516112 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.8401 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.9614 3.8507 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00151259 > ALDRICH > 553077 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.5889 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8877 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1867 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4778 -0.6615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 -0.0886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001977 > ALDRICH > C73001 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.8861 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -1.5232 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 1.5232 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -0.5733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040886 > ALDRICH > 125954 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 2.0365 -3.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -3.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -3.6383 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 -3.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -2.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 -2.2074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 6 3 0 0 0 0 G 5 2 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -0.2900 -0.5100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010382 > ALDRICH > 275859 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.5808 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1789 0.5162 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 1.0890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001874 > ALDRICH > 150428 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.7800 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 CH3NHCH2CH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001954 > ALDRICH > M27603 > FLUKA > 65670 > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4940 0.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.1233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.2878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 2 3 4 5 6 7 M SBL 1 1 1 M SMT 1 CCH2NHCH2CN M SBV 1 1 -0.9271 2.9705 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001887 > ALDRICH > 148253 > - > - > - > - > 16317496 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.8027 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9652 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 0.3791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 3.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 3 0 0 0 0 4 8 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00129155 > ALDRICH > 360945 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -4.7361 3.5499 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001769 > ALDRICH > 213810 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -3.1315 3.8765 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427120 > ALDRICH > 551627 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1256 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -0.6166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.6336 3.2678 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010383 > ALDRICH > 308609 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.1422 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 2 0 5 6 1 4 6 7 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010193 > ALDRICH > 263699 > - > - > - > - > 16317496 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.5134 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 -0.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 1.9299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 1.9300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 0.4299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040885 > ALDRICH > 467650 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.1244 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4124 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -7.8703 3.2368 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001963 > ALDRICH > 306118 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.9729 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 0.2349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 -1.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 0.9849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 4 7 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014743 > ALDRICH > 184365 > - > - > - > - > 16317496 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 4.1797 -5.8646 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8931 -5.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 -5.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 -6.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 -5.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2977 -5.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0175 -5.4981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 6 7 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001929 > ALDRICH > 147702 > FLUKA > 96712 > - > - > 16317496 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.2062 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 1 2 M SMT 1 CN M SBV 1 2 -2.0451 2.2616 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009969 > ALDRICH > 257443 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.1243 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -3.8928 3.7841 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001859 > ALDRICH > 192406 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 1.4387 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.3560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CH3SCH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001925 > ALDRICH > 160822 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 5.6481 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1303 -3.9990 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1678 -3.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7658 -3.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 1 1 0 0 0 0 4 5 3 0 0 0 0 G 4 1 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -0.5200 0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040191 > ALDRICH > 674532 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.8026 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1015 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1015 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9652 -1.6699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001944 > ALDRICH > 308528 > - > - > - > - > 16317496 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.8221 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011597 > ALDRICH > C91492 > FLUKA > 16776 > - > - > 16317496 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 1 0 3 4 3 0 1 5 1 0 5 6 1 0 1 7 1 0 7 8 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 1 2 M SMT 1 CN M SBV 1 2 -0.7145 0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 5 6 M SBL 2 1 4 M SMT 2 OCH3 M SBV 2 4 0.0000 0.8221 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 7 8 M SBL 3 1 6 M SMT 3 ^OCH3 M SBV 3 6 0.7145 -0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00044797 > ALDRICH > 657948 > - > - > - > - > 16317496 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 3 0 0 0 1 8 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001975 > FLUKA > 02210 > - > - > - > - > 16317496 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4240 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 NCCH2CN M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001883 > ALDRICH > 690414 > FLUKA > 63390 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 3 4 1 0 3 5 1 0 5 6 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001877 > ALDRICH > 688991 > - > - > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 2 0 2 4 1 0 3 5 1 0 5 6 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CN M SBV 1 4 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008071 > ALDRICH > 690538 > FLUKA > 07600 > - > - > 16317496 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.6173 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 3 0 0 0 2 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 1 2 M SMT 1 CN M SBV 1 2 -4.6369 4.5017 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 5 6 M SBL 2 1 4 M SMT 2 CN M SBV 2 4 -3.9249 3.2685 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003535 > ALDRICH > 690309 > - > - > - > - > 16317496 $$$$