IBS-ZINC04062041 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4990 -0.3690 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5360 1.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2310 -1.4750 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.7550 2.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6120 0.1220 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.9550 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -1.4280 1.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.5310 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -1.9990 3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -2.1220 4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -1.3000 4.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 0.4880 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 1.2520 2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 0.5600 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -0.5690 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -2.8840 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.9100 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 0.7680 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 1.3560 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -0.3920 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -3.1450 4.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -3.1820 5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 26 27 1 0 0 0 0 M END