PUBCHEM-ZINC03869957 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 0.5990 0.6530 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -0.8640 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -1.4300 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -1.2550 -1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.0180 0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -2.4050 0.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8940 -1.9220 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -2.0500 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -0.3390 1.9040 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 0.8260 0.1570 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 1.2430 -0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -0.1100 -0.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 1.8930 0.6010 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7540 -3.9240 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -4.7160 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -4.3140 -0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -5.7050 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -5.8240 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -4.7110 -3.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.4690 -0.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4520 1.0790 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.9850 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 3.6630 -1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.8770 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 0.9630 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -1.1020 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -1.3530 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.2110 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -2.2470 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -2.6950 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -3.6430 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -6.1960 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -6.1890 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -6.9990 -2.9030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6730 3.3410 0.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6040 1.2620 -1.2210 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5140 1.3350 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.3280 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 2.0540 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END