PUBCHEM-ZINC04776647 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.1600 1.4550 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.0270 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.5790 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -2.1010 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -2.5600 -0.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -3.8730 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -4.6780 -0.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -4.2950 -1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -5.6650 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -6.1340 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -7.4870 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -8.3740 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -7.9100 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -6.5580 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -9.8230 -1.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5550 -10.2330 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -10.6060 -1.7010 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8560 1.8300 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.7870 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.8380 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.2900 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -0.2470 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.5610 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -2.3850 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.9180 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -3.6490 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -5.4420 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -7.8520 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -8.6060 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -6.1960 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END