PUBCHEM-ZINC04530087 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 5.1150 1.2520 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 0.4610 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.3340 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -0.3680 -2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.1840 -1.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4230 -1.8670 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -0.2840 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -1.1370 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -1.5310 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -2.2950 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -2.6930 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -2.4140 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -1.6980 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -1.6480 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -2.2980 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -3.0070 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -3.0640 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -1.9540 -2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -3.2000 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -3.9230 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -3.6590 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -4.3390 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -5.2830 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -5.5530 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -4.8830 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -6.5630 -0.0520 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4840 -7.1550 0.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 -6.8020 -1.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9520 0.5880 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 1.9130 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 1.8480 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 0.3610 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 0.3300 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -1.2820 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -1.0980 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.2590 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -3.5150 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -3.6200 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -3.7100 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.9240 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -4.1340 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -5.8100 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -5.1530 -2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 -4.6560 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 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 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END