PUBCHEM-ZINC05853888 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.2430 1.5980 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 0.0950 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -0.5520 0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.9160 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -2.3970 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -3.7180 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.5490 -0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -3.9780 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.6720 -0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -5.0800 -0.4790 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -3.9580 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -4.7110 -0.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6250 -5.3450 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -3.5730 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -3.2940 0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -5.5380 1.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -5.0320 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -6.8640 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -7.5590 0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -7.4250 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -4.1970 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -5.6020 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -6.2590 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -5.7310 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 2.0990 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 2.0030 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.8490 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.1170 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.2710 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -0.0390 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -3.2040 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -3.4450 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -8.2720 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -7.7590 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -6.6710 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -3.4930 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -6.1140 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -6.1990 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -5.7710 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -7.3170 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -5.2600 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -6.7830 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -5.2440 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -3.0800 -1.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 44 -1 M END