PUBCHEM-ZINC00445366 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 0.4200 0.9120 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.5770 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.3730 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.8000 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -0.5700 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -0.7730 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -1.2100 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -1.4400 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -1.2290 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -1.4670 -2.2480 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.7090 -2.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -2.4210 -2.9770 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5320 -1.4300 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -1.2160 0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 -1.4240 0.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -2.0640 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6920 -2.0340 1.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7050 -1.4220 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5000 -1.0230 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 1.0740 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 1.4800 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 1.2440 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.9090 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -1.0410 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -2.4340 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.2120 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -0.2320 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -0.5930 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -1.7790 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -1.7680 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 -2.5120 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2080 -0.4800 -1.1410 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 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 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 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 32 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END