OTAVA-ZINC04513734 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.5390 1.4460 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -0.0310 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.6300 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.9840 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.7410 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.1430 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.7880 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.1370 -2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.9520 -2.4020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3820 -4.0940 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -2.4770 -3.4350 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6050 -2.7470 2.7680 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.9210 2.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -1.7170 3.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -3.2560 3.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -4.6010 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -4.4690 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -3.7000 3.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -2.3300 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -2.3770 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -3.6970 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -3.0240 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 -3.0220 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 -3.6900 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 -4.3620 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -4.3630 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 1.9940 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.6470 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 1.7640 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0390 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -3.7990 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 0.1300 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -0.8320 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 0.7620 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -5.0690 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -5.2070 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -3.9520 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -5.4600 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -1.8430 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -1.7710 4.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -2.7730 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -1.3740 4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -2.5020 4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -2.4990 4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 -3.6880 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 -4.8830 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 -4.8840 1.4280 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 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 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END