IBS-ZINC01730677 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 1 0 0 0 0 0999 V2000 -0.3000 1.4660 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.0520 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -0.3090 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.7440 -0.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.1630 -1.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5280 -2.6500 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -2.3510 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -2.0860 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.8810 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -0.6230 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -1.5670 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -2.7660 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -3.0340 -2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -3.7780 -1.6810 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1250 -4.0810 -0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 -4.2950 -2.4990 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3520 0.6550 -3.7110 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5100 1.4630 -4.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 0.8420 -3.7290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4790 -2.8580 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -2.0560 -1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 1.4890 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 2.0350 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.9250 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.3970 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -1.7050 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -3.3750 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -0.1430 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -3.9700 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -1.3580 -2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -4.1210 -1.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.3510 -0.4740 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 31 -1 M END