ASINEX-ZINC02458568 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -1.0170 1.9210 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 0.8020 1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.4200 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.6300 2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -1.4870 0.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1610 -1.9710 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -0.5840 -0.8130 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 0.9130 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 1.9010 -0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -2.4140 1.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -3.6950 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.3170 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -5.6110 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -6.3040 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -5.7050 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -4.4030 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -3.7670 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -2.5770 3.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0390 2.2090 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 2.7760 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 1.6090 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -2.1360 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -3.8040 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -6.0750 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -7.3090 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -6.2500 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -4.4520 3.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 22 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 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 M CHG 1 18 -1 M END