PUBCHEM-ZINC06521462 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -2.0380 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.7090 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.9290 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.0620 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.7360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -0.0800 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -0.7930 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -0.5610 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -0.4770 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -2.7770 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2650 -2.0820 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -3.5830 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -5.0500 0.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7680 -5.5680 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -4.8740 -0.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2490 -4.6840 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -3.7160 -1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -6.1060 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -5.9690 -2.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -5.7570 1.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -5.9540 2.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4110 -6.1520 3.7620 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.1370 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.8900 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.4990 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -1.1400 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -0.8680 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -0.7240 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -1.0590 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 0.5860 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -3.2690 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -3.4670 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -6.9970 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -6.1990 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -6.7160 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 24 1 M CHG 1 25 -1 M END