IFLAB-ZINC03866254 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.4320 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.0330 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -0.7030 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.0460 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.4520 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 2.1340 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.5960 -0.0450 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0600 4.1660 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 4.1810 -0.1910 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6380 -0.6240 -0.3980 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5860 -0.1770 0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -1.5660 -1.1980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1620 -2.0790 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.9040 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -4.3910 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.6590 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 1.9430 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.4830 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9910 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -2.6440 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -2.6220 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -2.7900 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -5.1660 0.7550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 23 -1 M END