7 7 0 0 0 0 0 0 0 0 1 V2000 0.6604 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 0.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 0.6179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -0.6401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -0.3704 0.0000 S 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 1 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038349 > ALDRICH > 188573 > - > - > - > - > 16271353 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.1708 -0.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6292 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 3 5 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00980966 > ALDRICH > 573744 > - > - > - > - > 16271353 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 3 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00205278 > ALDRICH > 438537 > - > - > - > - > 16271353 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 6.1443 -5.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8157 -5.4355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -4.6483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 -4.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -5.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -5.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 -3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 4 5 2 0 0 0 0 6 10 2 0 0 0 0 5 1 1 0 0 0 0 4 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052549 > ALDRICH > 549126 > - > - > - > - > 16271353 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.4148 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 -0.4816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 -0.9689 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 -0.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 0.9689 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 0.9626 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 5 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010072 > ALDRICH > 258903 > - > - > - > - > 16271353 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 0.3020 1.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0724 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 3 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003106 > ALDRICH > 211362 > - > - > - > - > 16271353 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.8730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.2055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.0305 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0772 0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 0.6195 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 2 0 4 7 2 0 7 8 1 0 8 9 1 0 9 5 2 0 6 10 1 0 10 11 2 0 10 12 1 0 M CHG 2 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 11 M SMT 1 NO2 M SBV 1 11 -3.0195 3.2993 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00068050 > ALDRICH > N12104 > - > - > - > - > 16271353 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.4065 0.6360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -0.6360 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 -0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 0.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00020722 > ALDRICH > 554022 > - > - > - > - > 16271353 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.2375 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.6750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.2583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5500 0.2583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 4 5 1 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274160 > ALDRICH > 553786 > - > - > - > - > 16271353 $$$$ 10 10 0 0 0 1 V2000 -0.2690 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0966 1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1103 -1.3207 0.0000 S 0 0 0 0 0 0 0 0 0 1.1552 -0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 0.5862 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6345 2.3793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4966 -0.8759 0.0000 N 0 0 0 0 0 0 0 0 0 1.8586 -1.3379 0.0000 N 0 0 0 0 0 0 0 0 0 1.8103 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 3.2724 -1.3379 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 4 9 2 0 0 0 8 10 1 0 0 0 5 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052212 > ALDRICH > 546399 > - > - > - > - > 16271353 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 7.2951 -6.2627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 -5.0515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0118 -4.9640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 -5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7611 -6.1943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -6.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5342 -6.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5342 -6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -7.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 -7.3666 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0931 -6.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8176 -8.1902 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 10 13 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 10 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 12 M SDI 1 4 3.9400 -7.0400 4.1500 -7.3900 M SMT 1 NO2 M SBV 1 12 0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00046073 > ALDRICH > 576018 > - > - > - > - > 16271353 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.4125 -0.2599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 -1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 5 1 0 7 2 1 0 6 8 1 0 6 9 1 0 6 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040403 > ALDRICH > 524409 > - > - > - > - > 16271353 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.4111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 2 0 4 7 2 0 7 8 1 0 8 9 1 0 9 5 2 0 6 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005810 > ALDRICH > 102520 > - > - > - > - > 16271353 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 6.6792 -6.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -6.3292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.0167 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -4.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -4.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -6.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 2 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 6 4 1 0 0 0 0 15 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00674098 > ALDRICH > 464627 > - > - > - > - > 16271353 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7132 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 -0.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -0.5623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 5 1 0 8 7 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040401 > ALDRICH > 334669 > - > - > - > - > 16271353 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.9883 -5.6722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 -6.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -6.9493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0525 -6.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8118 -5.6910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -6.6946 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 -6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8407 -6.7533 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051648 > ALDRICH > 530654 > - > - > - > - > 16271353 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3572 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 5 1 0 8 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003111 > ALDRICH > 196924 > - > - > - > - > 16271353 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 2 0 4 7 2 0 7 8 1 0 8 9 1 0 9 5 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005809 > ALDRICH > B10900 > - > - > - > - > 16271353 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.4125 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.5623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 3 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003108 > ALDRICH > 127906 > FLUKA > 08380 > - > - > 16271353 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0553 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003107 > ALDRICH > 258881 > - > - > - > - > 16271353 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 8.1526 -10.7720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2359 -10.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -10.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 -9.0530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6683 -9.0530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1581 -10.3709 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 6.1472 -10.5428 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 4.8294 -10.5428 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 11.3040 -10.4282 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 M CHG 4 6 -1 7 -1 8 1 9 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003104 > ALDRICH > 139432 > FLUKA > 00615 > - > - > 16271353 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.4039 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.4039 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 5 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003103 > ALDRICH > D129003 > - > - > - > - > 16271353 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 6.7393 -7.3621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 -7.3621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6594 -8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3268 -8.6317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 -8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7087 -8.5593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 -8.4017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2833 -7.8125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -8.8083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -9.1958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 7 9 1 0 0 0 0 3 4 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003109 > ALDRICH > 196967 > - > - > - > - > 16271353 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 6.0406 -2.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 -2.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -3.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 -3.6191 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -3.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 -3.4512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 -3.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003110 > ALDRICH > 686166 > - > - > - > - > 16271353 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 7.9067 -7.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6161 -6.8206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -6.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5736 -7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 -8.1111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 -6.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -6.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7895 -5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3782 -4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1263 -3.9925 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5284 -3.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4253 -3.4746 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 3 7 1 0 0 0 0 10 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 G 12 10 NO2 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 11 M SMT 1 NO2 M SBV 1 11 0.4200 -0.7200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052103 > ALDRICH > 558494 > - > - > - > - > 16271353 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.4291 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 0.7385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8309 0.7495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -0.7495 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8557 -0.5827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1436 -0.6004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 -0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 4 6 1 0 1 7 1 0 7 8 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 ^SCH3 M SBV 1 7 0.7145 0.4125 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00175752 > ALDRICH > 494216 > - > - > - > - > 16271353 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 6.3737 -2.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1737 -2.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 -3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 -3.7882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7737 -4.1408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 -3.7882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 -2.6979 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.9737 -2.6979 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 4 10 1 0 0 0 0 1 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00658844 > ALDRICH > 693847 > - > - > - > - > 16271353 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 6.2698 -2.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6698 -2.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 -3.0816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4552 -2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 -2.9137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -2.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -3.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -3.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -3.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00469688 > ALDRICH > 663565 > - > - > - > - > 16271353 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.5857 1.0502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 1.0502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 -0.2186 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 0.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 0.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6253 -0.7530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 10 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00981219 > ALDRICH > 663557 > - > - > - > - > 16271353 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 1.1971 1.0503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 1.0503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 0.0116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -0.4983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 5 6 1 0 0 0 3 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00473692 > ALDRICH > 663573 > - > - > - > - > 16271353 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 1.9107 1.0030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 1.0084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -0.2686 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9459 -0.0390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 -0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 -0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3668 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 2 1 0 10 13 1 0 13 14 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 14 M SMT 1 ^OCH3 M SBV 1 14 0.8034 0.2118 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00813220 > ALDRICH > 576026 > - > - > - > - > 16271353 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.0368 -0.0522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 0.1786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4861 -1.2159 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 10 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00469706 > ALDRICH > 576034 > - > - > - > - > 16271353 $$$$