PUBCHEM-ZINC05415470 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.6360 1.4970 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -2.1060 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -1.6190 1.6480 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9340 -0.9850 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -0.6610 0.1000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -2.8180 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -3.6690 2.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -4.7760 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -5.0260 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -5.6090 3.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -6.8140 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -7.5660 5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -7.1390 5.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.5180 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.8980 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -2.4570 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -2.4670 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -3.3860 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -5.4100 4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -6.5310 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -7.4500 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.1380 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -1.6080 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.1750 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -8.7100 5.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -9.1560 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 30 31 1 0 0 0 0 M END