ASINEX-ZINC04587543 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.8280 1.0900 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -0.1500 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.6970 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -0.0520 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.6070 -3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -1.8110 -3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -2.4560 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.8970 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -3.7400 -1.6930 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4650 -4.3540 -0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -4.1820 -2.6340 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3650 -2.3750 -4.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -1.5880 -5.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.3820 -5.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -2.2050 -6.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -0.8940 -7.6090 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -1.7920 -8.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -3.1690 -8.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -3.8900 -10.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 -3.2560 -11.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.8530 -11.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -1.1060 -10.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 0.2270 -10.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 0.8690 -11.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 0.1960 -12.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.1680 -12.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 1.8430 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 0.9590 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 1.4160 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.8840 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -0.1050 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.3970 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -3.3330 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7840 -6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -2.8600 -6.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -3.6950 -8.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.9680 -9.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -3.8300 -11.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 1.9480 -11.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 0.7520 -13.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 -1.7060 -13.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END