16 16 0 0 0 0 0 0 0 0 1 V2000 5.3002 -2.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 -2.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 -2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -3.3228 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8798 -3.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 -3.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3994 -2.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9172 -3.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2927 -4.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7749 -3.9228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0739 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 -4.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 -3.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8105 -3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8105 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 15 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 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 1 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 10 11 1 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 15 16 2 0 0 0 0 10 15 1 0 0 0 0 G 8 6 OCH3 G 15 5 Boc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 8 9 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -0.5200 -0.3000 M SAL 2 7 10 11 12 13 14 15 16 M SBL 2 1 1 M SMT 2 Boc M SBV 2 1 0.0000 0.6000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09842764 > ALDRICH > 687456 > - > - > - > - > 16268326 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0553 1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 11 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005344 > ALDRICH > 196940 > - > - > - > - > 16268326 $$$$ 16 17 0 0 0 1 V2000 -0.3034 1.3828 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3034 0.0862 0.0000 S 0 0 3 0 0 0 0 0 0 0.7552 2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3655 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3034 -1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6103 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 1.0000 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0.3552 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 2.0000 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9759 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4276 -1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0.8172 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 2.2966 0.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4276 -3.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0.8172 -3.1517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3034 -3.8034 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 2 7 2 0 0 0 3 8 2 0 0 0 3 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 5 12 2 0 0 0 9 13 2 0 0 0 11 14 2 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 8 10 1 0 0 0 15 16 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274623 > ALDRICH > 438847 > - > - > - > - > 16268326 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.1902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 2 0 1 4 1 0 1 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 5 1 0 4 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 4 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00067739 > ALDRICH > 438839 > - > - > - > - > 16268326 $$$$ 16 17 0 0 0 1 V2000 -0.3828 1.3241 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3517 0.0483 0.0000 S 0 0 3 0 0 0 0 0 0 0.7000 2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4138 2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3517 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6276 0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0.8828 0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0.2793 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 1.9241 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9759 3.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0.7586 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4759 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 3.0862 1.3862 0.0000 N 0 0 0 0 0 0 0 0 0 0.7586 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4759 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3517 -3.8621 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 2 7 2 0 0 0 3 8 2 0 0 0 3 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 5 12 2 0 0 0 9 13 3 0 0 0 11 14 2 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 8 10 1 0 0 0 15 16 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274216 > ALDRICH > 438855 > - > - > - > - > 16268326 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 5 6 1 0 0 0 0 11 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00799565 > ALDRICH > 452963 > - > - > - > - > 16268326 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7076 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7771 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 -0.2691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 -0.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0424 0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 1.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 -1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 5 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009752 > ALDRICH > 226572 > - > - > - > - > 16268326 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 0.2195 -1.0562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2299 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 1.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 0.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 -0.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4008 -1.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 -0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2337 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 2 7 1 0 4 8 1 0 5 9 1 0 6 10 2 0 6 11 1 0 11 12 1 0 12 13 1 0 9 14 1 0 9 15 2 0 14 16 1 0 16 17 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005218 > ALDRICH > D93201 > - > - > - > - > 16268326 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -0.4479 0.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8604 1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1153 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 -0.4981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4479 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 -0.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2729 -0.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 -1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 -2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 -2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 3 7 1 0 7 8 2 0 7 9 1 0 6 10 2 0 6 11 2 0 6 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00067752 > ALDRICH > 438820 > - > - > - > - > 16268326 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0764 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7120 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.4874 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 7 1 0 3 12 1 0 12 13 2 0 12 14 1 0 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 13 M SMT 1 NO2 M SBV 1 13 -2.1699 2.5728 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00119340 > ALDRICH > 447358 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3794 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 -0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 -0.8403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 4 6 1 0 0 0 7 6 1 0 0 0 7 8 1 0 0 0 8 9 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CN M SBV 1 8 -6.7116 5.4881 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003092 > ALDRICH > C91352 > - > - > - > - > 16268326 $$$$ 40 41 0 0 0 0 0 0 0 0 1 V2000 9.4042 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1417 -5.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.1167 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -6.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2625 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 10 1 0 0 0 0 8 10 1 0 0 0 0 9 5 1 0 0 0 0 10 19 1 0 0 0 0 11 2 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 11 2 0 0 0 0 16 12 2 0 0 0 0 17 13 2 0 0 0 0 18 14 2 0 0 0 0 19 34 1 0 0 0 0 20 9 1 0 0 0 0 21 6 1 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 5 1 0 0 0 0 25 12 1 0 0 0 0 26 14 1 0 0 0 0 27 13 1 0 0 0 0 28 11 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 20 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 33 1 0 0 0 0 37 32 1 0 0 0 0 38 30 1 0 0 0 0 39 31 1 0 0 0 0 40 29 1 0 0 0 0 9 6 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274282 > ALDRICH > 453102 > - > - > - > - > 16268326 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.1275 -0.8772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 1.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -0.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -1.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 5 7 1 0 8 4 1 0 9 8 1 0 8 10 2 0 2 11 1 0 11 12 1 0 11 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00022374 > ALDRICH > A15002 > - > - > - > - > 16268326 $$$$ 36 37 0 0 0 0 0 0 0 0 1 V2000 -2.3500 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0833 -0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5625 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 -0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 10 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 15 1 0 0 0 0 17 13 2 0 0 0 0 18 14 2 0 0 0 0 19 11 2 0 0 0 0 20 12 2 0 0 0 0 21 7 1 0 0 0 0 22 10 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 12 1 0 0 0 0 26 14 1 0 0 0 0 27 11 1 0 0 0 0 28 13 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 32 27 1 0 0 0 0 33 31 1 0 0 0 0 34 30 1 0 0 0 0 35 29 1 0 0 0 0 36 32 1 0 0 0 0 6 9 1 0 0 0 0 4 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274281 > ALDRICH > 453099 > - > - > - > - > 16268326 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.4228 -1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2446 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4187 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 2 7 1 0 8 3 1 0 9 8 1 0 8 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005221 > ALDRICH > A14804 > - > - > - > - > 16268326 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3585 1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.1350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -1.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 7 6 1 0 8 7 1 0 8 9 1 0 8 10 1 0 8 11 1 0 6 12 2 0 4 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 6 7 8 9 10 11 12 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 0.0000 0.8250 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209559 > ALDRICH > 425834 > - > - > - > - > 16268326 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3000 -0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 5 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192088 > ALDRICH > 390836 > - > - > - > - > 16268326 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.9796 1.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 1.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 1.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 1.6557 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 0.6027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5128 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 4 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 7 10 2 0 8 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 8 1 0 13 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07364061 > ALDRICH > 650900 > - > - > - > - > 16268326 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -0.6357 0.1902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4607 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 1.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2232 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3502 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3502 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 2 0 1 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 4 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 9 2 0 16 8 1 0 15 16 1 0 16 17 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00067763 > ALDRICH > 438812 > - > - > - > - > 16268326 $$$$ 14 15 0 0 0 1 V2000 -0.0034 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 1.8448 0.0000 N 0 0 3 0 0 0 0 0 0 1.0517 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0517 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0.9310 2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9345 2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 1.0517 -1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0517 -1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0.9310 3.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9345 3.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 -1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 -2.9931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0379 -3.5621 0.0000 O 0 0 0 0 0 0 0 0 0 1.0379 -3.5759 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 8 11 2 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00082569 > ALDRICH > 368091 > - > - > - > - > 16268326 $$$$ 19 19 0 0 0 0 0 0 0 0 1 V2000 6.3856 -6.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 -6.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3072 -7.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9743 -7.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 -7.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -7.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -7.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -8.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3573 -7.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 -7.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3573 -8.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9003 -5.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 -4.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -5.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -5.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -5.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 2 1 0 0 0 0 17 18 1 0 0 0 0 1 2 1 0 0 0 0 18 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07369720 > ALDRICH > 637432 > - > - > - > - > 16268326 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.5457 -2.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3633 -2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7633 -2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5748 -2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -3.1699 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0551 -3.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -3.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 -4.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03844729 > ALDRICH > 687545 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.4773 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -4.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -2.2562 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -2.8552 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -4.0531 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05662363 > ALDRICH > 684643 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.6989 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 6 7 2 0 6 8 1 0 1 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003089 > ALDRICH > 160865 > - > - > - > - > 16268326 $$$$ 27 29 0 0 0 0 0 0 0 0 1 V2000 0.4744 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0631 -0.3018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 -0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 -1.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0631 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 -1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 -2.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -2.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -2.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 2.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6821 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 3 6 1 0 6 7 1 0 6 8 2 0 7 9 1 0 9 10 1 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 15 2 0 4 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 1 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 2 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06798073 > ALDRICH > 637416 > - > - > - > - > 16268326 $$$$ 46 49 0 0 0 0 0 0 0 0 1 V2000 -4.1583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.8875 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3667 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2958 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2958 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0083 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0083 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 10 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 24 1 0 0 0 0 17 30 1 0 0 0 0 18 17 1 0 0 0 0 19 11 2 0 0 0 0 20 12 2 0 0 0 0 21 13 2 0 0 0 0 22 14 2 0 0 0 0 23 15 2 0 0 0 0 24 28 2 0 0 0 0 25 15 1 0 0 0 0 26 27 1 0 0 0 0 27 18 2 0 0 0 0 28 18 1 0 0 0 0 29 23 1 0 0 0 0 30 25 2 0 0 0 0 31 8 1 0 0 0 0 32 9 1 0 0 0 0 33 7 1 0 0 0 0 34 10 1 0 0 0 0 35 11 1 0 0 0 0 36 13 1 0 0 0 0 37 12 1 0 0 0 0 38 14 1 0 0 0 0 39 36 1 0 0 0 0 40 35 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 41 1 0 0 0 0 44 40 1 0 0 0 0 45 39 1 0 0 0 0 46 42 1 0 0 0 0 6 9 1 0 0 0 0 29 17 2 0 0 0 0 16 26 2 0 0 0 0 4 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274284 > ALDRICH > 453129 > - > - > - > - > 16268326 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 0.4106 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -0.9732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -1.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 2 1 0 3 10 1 0 10 11 1 0 10 12 2 0 11 13 1 0 13 14 1 0 5 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 15 19 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05865211 > ALDRICH > 637165 > - > - > - > - > 16268326 $$$$ 26 28 0 0 0 0 0 0 0 0 1 V2000 0.4106 1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -0.1132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 -2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 -0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 0.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 2 1 0 4 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 3 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 20 21 1 0 5 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 22 26 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05865283 > ALDRICH > 637084 > - > - > - > - > 16268326 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0533 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.6156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 -0.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 6 7 1 0 3 8 1 0 1 9 1 0 6 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00111522 > ALDRICH > 640514 > - > - > - > - > 16268326 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 0.4106 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -1.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -0.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -0.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -1.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 0.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7459 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 0.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 3 6 1 0 6 7 1 0 6 8 2 0 7 9 1 0 9 10 1 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 15 2 0 1 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 2 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06200714 > ALDRICH > 637424 > - > - > - > - > 16268326 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.4100 0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 -0.6353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 2 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005223 > ALDRICH > D183601 > - > - > - > - > 16268326 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.4106 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -0.9732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -1.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 2 1 0 3 10 1 0 10 11 1 0 10 12 2 0 5 13 1 0 13 14 1 0 13 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05865212 > ALDRICH > 637203 > - > - > - > - > 16268326 $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 0.5625 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 0.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5167 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 7 2 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 19 2 0 0 0 0 23 18 1 0 0 0 0 24 22 1 0 0 0 0 2 4 2 0 0 0 0 24 23 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664246 > ALDRICH > 571903 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.1087 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.2219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 5 2 0 4 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003088 > ALDRICH > 153141 > FLUKA > 69105 > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.6670 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2545 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3345 0.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 2 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003087 > ALDRICH > 130052 > FLUKA > 69101 > - > - > 16268326 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005345 > ALDRICH > M78801 > FLUKA > 69100 > - > - > 16268326 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 5 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 13 10 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01321228 > ALDRICH > 447374 > - > - > - > - > 16268326 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.5493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 1 7 2 0 1 8 2 0 1 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145014 > ALDRICH > 466948 > - > - > - > - > 16268326 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7052 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 6 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00060477 > ALDRICH > 357715 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.6026 -8.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 -8.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5242 -9.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 -9.6223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 -9.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5743 -9.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5743 -10.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2888 -9.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -9.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 1 2 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00817048 > ALDRICH > 640425 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.8313 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0938 -0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -0.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 5 7 1 0 4 8 1 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005222 > ALDRICH > D158402 > FLUKA > 40226 > - > - > 16268326 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 1 0 6 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010276 > ALDRICH > 247790 > - > - > - > - > 16268326 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005343 > ALDRICH > 131474 > - > - > - > - > 16268326 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 1 0 6 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005217 > ALDRICH > P73404 > FLUKA > 83230 > - > - > 16268326 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 5.6793 -2.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5009 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -2.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 -3.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2457 -3.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 -3.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6819 -2.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7093 -4.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2021 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 -4.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -4.7833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1928 -5.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2104 -5.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 5 10 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 9 10 1 0 0 0 0 3 4 2 0 0 0 0 9 12 1 0 0 0 0 4 5 1 0 0 0 0 12 13 1 0 0 0 0 5 1 1 0 0 0 0 12 14 1 0 0 0 0 1 6 1 0 0 0 0 12 15 1 0 0 0 0 G 10 5 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 9 10 11 12 13 14 15 M SBL 1 1 3 M SDI 1 4 5.0500 -3.7000 5.3400 -3.7000 M SMT 1 Boc M SBV 1 3 0.0000 0.5900 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03086220 > ALDRICH > 685658 > - > - > - > - > 16268326 $$$$ 5 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005216 > ALDRICH > 131709 > FLUKA > 83220 > - > - > 16268326 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.1087 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 0.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005219 > ALDRICH > P73609 > FLUKA > 83235 > - > - > 16268326 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.7375 0.6083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4000 1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 4 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00963301 > ALDRICH > 566322 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.3428 -3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 -4.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 -4.5525 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2776 -4.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -3.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 -4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -5.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -4.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 -4.3388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 0 0 0 0 2 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003086 > ALDRICH > 199427 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.6385 -2.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -2.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4531 -3.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 -3.8921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -3.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7582 -2.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7582 -2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2772 -2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7950 -3.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 8 6 1 0 0 0 0 6 7 2 0 0 0 0 1 2 1 0 0 0 0 8 9 1 0 0 0 0 G 8 6 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 OCH3 M SBV 1 6 -0.5200 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00967074 > ALDRICH > 685399 > - > - > - > - > 16268326 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.2200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 12 9 1 0 13 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00128350 > ALDRICH > 452955 > - > - > - > - > 16268326 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.6989 -0.3463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 0.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 -0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 6 7 2 0 6 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005220 > ALDRICH > 247359 > FLUKA > 01455 > - > - > 16268326 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 6.0144 -6.4631 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.1886 -6.4631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7768 -5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7768 -7.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -7.2881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7303 -7.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -7.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -6.4631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2512 -5.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2512 -7.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -5.6381 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6832 -5.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4186 -4.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 -4.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 -5.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 11 1 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00054932 > ALDRICH > 377945 > - > - > - > - > 16268326 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.7004 0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -0.6703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4455 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -0.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 -1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5623 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 -1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 2 6 1 0 1 7 1 0 3 8 1 0 5 9 1 0 10 9 1 0 11 10 1 0 9 12 2 0 11 13 1 0 11 14 1 0 11 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010682 > ALDRICH > 288918 > - > - > - > - > 16268326 $$$$ 12 13 0 0 0 1 V2000 -0.0103 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0103 1.2172 0.0000 N 0 0 3 0 0 0 0 0 0 -1.0828 -0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 1.0655 -0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0.9931 1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0103 1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0828 -1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 1.0828 -1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0.6000 3.1448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6172 3.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0.0276 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0.0276 -3.8103 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 7 11 2 0 0 0 11 12 1 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00216556 > ALDRICH > 194069 > - > - > - > - > 16268326 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.9295 -6.2807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 -5.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -5.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 -7.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0259 -5.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6148 -5.0838 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7379 -5.3847 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -6.5078 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 6 CCl3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SDI 1 4 6.8800 -6.1100 6.6700 -5.7500 M SMT 1 CCl3 M SBV 1 5 -0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00128757 > ALDRICH > 395137 > - > - > - > - > 16268326 $$$$ 40 42 0 0 0 0 0 0 0 0 1 V2000 -2.9750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7042 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1875 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 -1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 10 2 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 22 1 0 0 0 0 16 6 1 0 0 0 0 17 11 2 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 14 2 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 23 16 2 0 0 0 0 24 23 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 7 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 30 13 1 0 0 0 0 31 12 1 0 0 0 0 32 14 1 0 0 0 0 33 30 1 0 0 0 0 34 29 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 37 35 1 0 0 0 0 38 34 1 0 0 0 0 39 33 1 0 0 0 0 40 36 1 0 0 0 0 6 9 1 0 0 0 0 24 15 2 0 0 0 0 4 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274283 > ALDRICH > 453110 > - > - > - > - > 16268326 $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 0.1889 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -1.3685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 -0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4897 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5274 1.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 1.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 -1.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 -0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 1.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 4 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 11 13 1 0 2 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010681 > ALDRICH > 288950 > - > - > - > - > 16268326 $$$$ 27 28 0 0 0 0 0 0 0 0 1 V2000 -1.4493 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7819 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 -0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1168 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7819 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 -0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5536 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0215 -0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 -1.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -0.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -1.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -0.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8515 -1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 -1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 -1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 3 7 1 0 2 17 1 0 5 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 10 14 1 0 11 15 1 0 12 16 1 0 13 17 1 0 16 18 1 0 7 19 1 0 8 20 1 0 8 21 2 0 14 22 1 0 14 23 2 0 20 24 1 0 22 25 1 0 25 26 1 0 24 27 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00111569 > ALDRICH > 379085 > - > - > - > - > 16268326 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.5526 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1153 -0.9669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 2 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083419 > SIGMA > M5156 > - > - > - > - > 16268326 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 -0.5404 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 -1.0493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2854 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6736 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 1.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 -0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4965 -0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -0.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 -1.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 -0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 1 6 1 0 2 7 1 0 7 8 1 0 7 9 2 0 3 10 1 0 5 11 1 0 12 11 1 0 13 12 1 0 11 14 2 0 13 15 1 0 13 16 1 0 13 17 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010619 > ALDRICH > 288969 > - > - > - > - > 16268326 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 -2.5447 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -0.9673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6467 -0.9460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2976 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 -0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -0.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 0.1731 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 6 5 1 0 7 6 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 7 1 0 9 12 1 0 11 13 1 0 2 14 1 0 3 15 1 0 16 17 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SMT 1 • HCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09265115 > ALDRICH > 678058 > - > - > - > - > 16268326 $$$$ 19 19 0 0 0 0 0 0 0 0 1 V2000 -0.5870 -0.8772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -0.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 0.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 7 1 0 9 8 1 0 10 9 1 0 5 11 1 0 7 12 2 0 13 4 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 15 19 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010644 > ALDRICH > 288934 > - > - > - > - > 16268326 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 0.9370 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 0.6361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.4870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -2.1607 3.0745 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00141809 > ALDRICH > 424196 > - > - > - > - > 16268326 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 5.6115 -3.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 -3.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -3.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 -4.1921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 -3.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3655 -4.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9504 -3.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 6 7 3 0 0 0 0 G 6 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -0.5700 0.1900 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00234061 > ALDRICH > 668311 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.1780 0.0860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -1.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 -1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 1 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -2.2306 2.3075 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00126403 > ALDRICH > 423998 > - > - > - > - > 16268326 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.8903 -3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0953 -2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6949 -2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -3.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -3.5912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 -2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2538 -2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 -2.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -3.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07438025 > ALDRICH > 682578 > - > - > - > - > 16268326 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.5266 -0.9135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1408 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1941 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 3 7 1 0 7 8 2 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011563 > ALDRICH > 309869 > - > - > - > - > 16268326 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003090 > ALDRICH > T80306 > - > - > - > - > 16268326 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.0000 1.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.2848 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 1 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 1 1 0 5 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00047067 > ALDRICH > 452947 > - > - > - > - > 16268326 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3444 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 0.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0424 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -1.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 7 1 0 6 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 4 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 6 7 8 9 10 11 12 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 0.0000 0.8221 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01863512 > ALDRICH > 477516 > - > - > - > - > 16268326 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 1.8723 -1.0360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8723 -0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 1.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 2 0 6 8 1 0 3 6 1 0 9 10 2 0 9 11 1 0 4 9 1 0 12 13 1 0 8 12 1 0 14 15 1 0 11 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192033 > ALDRICH > 393207 > - > - > - > - > 16268326 $$$$