ASINEX-ZINC04158996 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0450 1.5430 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.4760 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.1610 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.6780 3.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -2.3580 4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -2.8360 5.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.4880 3.6560 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2600 -2.0180 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.5890 2.0710 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -3.9590 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -4.0680 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -3.0670 3.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -5.2770 2.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -5.3860 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0790 -4.3890 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -4.5000 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -5.6030 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -6.5980 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -6.4960 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5830 -5.7190 2.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.1890 -4.8440 1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1800 -6.6900 2.6270 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0210 -1.4780 3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.1860 4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.9220 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.9070 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8900 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.3650 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.3340 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -4.3750 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -4.5140 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -6.0710 2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -3.5270 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9830 -3.7250 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9650 -7.4580 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -7.2750 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -2.3200 4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.4050 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -0.0370 4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6560 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.2590 5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END