PUBCHEM-ZINC00282958 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 1.8060 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 1.7680 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 1.5400 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.7570 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 1.2640 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 1.7440 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 1.5920 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 2.1790 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5420 2.9190 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 3.0770 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 2.4920 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 2.4870 -0.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 3.1650 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 2.2280 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 2.1920 -4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 1.3330 -5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 0.5090 -5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 0.5460 -4.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 1.4080 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1170 2.0190 0.9550 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.3010 1.3690 1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0610 2.5370 0.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7800 0.4720 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 0.1120 2.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 1.5850 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 1.1660 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 2.8510 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 2.1170 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 1.1920 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 1.0150 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3830 3.3750 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 3.6550 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 4.0490 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 3.4630 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 2.8360 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 1.3040 -5.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -0.1630 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.0980 -4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 1.4390 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 0.1830 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.5580 1.2130 N 0 0 0 0 0 0 0 0 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 1 45 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 45 1 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END