28 28 0 0 0 0 0 0 0 0 1 V2000 0.5905 -6.8742 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2579 -6.3851 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9946 -5.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 -5.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -6.3893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7331 -5.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 -6.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -7.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 -7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -7.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 -5.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6542 -6.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 13 14 1 0 0 0 0 5 6 1 0 0 0 0 14 15 1 0 0 0 0 5 7 1 0 0 0 0 15 16 1 0 0 0 0 1 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 2 9 1 0 0 0 0 18 19 1 0 0 0 0 1 2 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 0 0 0 0 22 23 1 0 0 0 0 3 4 1 0 0 0 0 2 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 4 5 1 0 0 0 0 23 26 2 0 0 0 0 12 13 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 M RAD 1 8 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00010155 > A > 253626 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 7.6387 -6.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 -7.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 -7.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -7.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -6.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 -6.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4882 -7.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7686 -7.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4219 -6.4757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 -7.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4219 -7.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7308 -7.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00051726 > A > 543551 > - > - > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.3742 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 0.8601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 -0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 -0.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0242 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8492 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 0 5 7 2 0 1 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 6 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00003204 > A > 857556 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -2.8710 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1565 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4421 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4421 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1565 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 1.3049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -0.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 1 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD07369767 > A > 653470 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.8029 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8029 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 2.0730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 0.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 1.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 0.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD07369766 > A > 653462 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4045 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 1 10 1 0 8 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD01664246 > A > 653454 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 1.6667 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 0.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.5833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5958 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4500 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 13 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 4 5 1 0 0 0 0 10 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD04038841 > F > 50291 > - > - > - > - $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -0.2792 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 1.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0458 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 20 1 0 0 0 0 20 14 2 0 0 0 0 8 6 1 0 0 0 0 19 15 2 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00274337 > A > 459585 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.2928 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7053 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0276 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 -0.1633 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 1 0 6 7 1 0 2 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005269 > A > 135658 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7771 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -0.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 0.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0246 -0.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 1 0 4 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00009759 > A > 228001 > - > - > - > - $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 0.7425 0.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 -0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 -0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7119 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 -0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 -1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7119 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 3 12 2 0 2 13 2 0 13 14 1 4 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00020895 > A > 424773 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 6 2 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00075541 > A > 369756 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.5275 -1.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.0758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 1.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -1.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 0 6 7 2 0 6 8 1 0 2 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00068820 > A > 348511 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.3273 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2338 0.6285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 -0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 3 6 1 0 6 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005302 > A > 137456 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.5847 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 -1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7597 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 -0.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1888 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 7 2 0 10 12 1 0 10 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00030446 > A > 346292 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.1714 -1.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 0.1293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 -0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 -1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 0.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 1 0 4 6 1 0 4 7 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 14 15 1 0 9 14 1 0 2 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00151837 > A > 459577 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.0863 -1.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5812 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3262 0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4988 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7123 1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 6 2 1 0 4 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005301 > A > 178748 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.8210 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 -0.7360 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 2 0 1 7 2 0 5 8 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005410 > A > 122025 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.2625 -0.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5042 0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 0.3583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6000 -0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 6 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00192158 > A > 417815 > - > - > - > - $$$$ 9 9 0 0 0 1 V2000 -0.8552 0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0.5912 -0.3198 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2902 1.6509 0.0000 N 0 0 0 0 0 0 0 0 0 -2.0636 -0.7548 0.0000 O 0 0 0 0 0 0 0 0 0 1.7327 0.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0.9110 -1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8518 1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3203 0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 3.2088 0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 7 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD03427228 > A > 560618 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 2.8616 -1.9698 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7075 -2.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -2.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6566 -2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -1.9413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 4 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00052156 > F > 41030 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0553 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005298 > A > 137448 > F > 68266 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.9597 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 -0.1404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -1.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 0.6962 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 2 5 1 0 5 6 2 0 2 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00010197 > F > 92771 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.3909 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005268 > A > O9409 > F > 75793 > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.5684 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 0.1565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 -1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 0.1565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 0.1565 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 -0.9263 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 3 13 1 0 13 14 2 0 13 15 1 0 12 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00010077 > A > 270962 > F > 15140 > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.4254 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 0.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 1.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 2 0 4 7 2 0 2 8 1 0 2 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16260172 > MFCD00005379 > S > D7631 > - > - > - > - $$$$