IBS-ZINC04306234 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.5900 -0.4790 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 3.3990 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 3.8910 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 5.2700 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 6.0680 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 5.5650 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 4.2580 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 6.4270 0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 7.8750 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 8.5940 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 8.3080 1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 5.8050 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 2.9690 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5170 2.5950 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 2.5840 1.0280 O 0 5 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 -1.0180 -0.3810 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.3550 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -1.4430 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 1.4130 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 6.0710 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 8.1540 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 8.1630 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 9.6680 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 8.2480 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 8.7310 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 5.2170 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 6.7670 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END