IFLAB-ZINC02458678 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 1.3910 -0.2740 -4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.3930 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -0.9040 -2.1800 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -0.6800 -1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 0.1180 -1.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -2.3410 -1.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -2.8570 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -4.1480 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -4.6730 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -3.8580 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.6010 -1.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -2.1340 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -6.0550 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -6.7180 -3.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7780 0.6200 -4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 0.0040 -4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.5870 -5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -1.6540 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -2.2740 -4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -3.0360 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -4.7600 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -4.2050 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.1340 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -6.4480 -2.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 2 0 0 0 0 M CHG 1 14 -1 M END