PUBCHEM-ZINC03650547 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 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 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 1.8230 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 2.2830 -3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 2.5270 -4.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 2.4860 -3.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 2.2240 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 1.7840 -1.1570 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7520 1.5130 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 2.7400 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 2.4580 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 3.6850 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 3.4020 4.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6560 2.4960 4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 4.5620 5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 5.3900 5.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 2.9720 5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 2.9360 -4.4680 O 0 5 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 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.6540 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 2.3790 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 1.2920 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 0.6580 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 2.9610 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 3.5950 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 2.2370 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 1.6030 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 3.9060 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 4.5400 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 1.7640 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 4.6750 6.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 3.2230 4.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 4.0510 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 5.4360 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 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 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 8 1 M CHG 1 18 -1 M END