IFLAB-ZINC04071604 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 0.1060 1.4870 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.0360 -0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7620 -0.4020 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.5320 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -1.1570 -2.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.5630 0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -0.5120 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.0120 2.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -1.1510 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -1.0730 2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -1.6140 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -1.5090 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -2.0170 4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 -2.6370 3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -2.7490 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 -2.2360 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 -3.1740 3.2990 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.6080 -3.0530 4.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6830 -3.7190 2.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1120 1.8820 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8710 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 1.9010 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -1.0050 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.6130 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -2.2000 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -1.0260 4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -1.9200 5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 -3.2290 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -2.3380 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -0.2710 -1.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 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 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 30 -1 M END