PUBCHEM-ZINC04565665 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.2130 1.2090 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.2670 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -0.7860 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -1.0100 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.4440 0.5370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0200 -2.6280 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -2.9230 1.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9120 -2.6940 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -4.4370 1.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0660 -4.7950 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -5.1270 -0.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4400 -4.9340 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -4.6130 -0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -3.2110 -0.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1670 -2.9930 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -2.8090 -1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -3.2920 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -6.6340 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -7.2940 -1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -7.8840 -1.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7290 -8.4740 -1.1500 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.1230 -4.7320 2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -2.2650 2.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -1.8640 2.4260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -1.0400 3.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -1.3470 1.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -3.4260 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 1.6380 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.3580 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 1.6970 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.5950 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.9180 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.9440 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -4.3820 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -6.8260 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -7.0250 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -5.6750 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -3.9410 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -3.2200 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -4.0550 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M END