IBS-ZINC05477933 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 -0.1960 1.1050 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -0.4180 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.7950 -1.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6420 -0.2920 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -2.3100 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -2.9710 -1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -0.3820 -2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.1280 -3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.2700 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 0.5120 -6.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 0.9180 -7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 1.2420 -8.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.5940 -9.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 1.6330 -8.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.9740 -6.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 0.5330 -5.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 1.9950 -9.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 0.9090 -9.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 1.4900 -9.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 3.0150 -9.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 3.2080 -9.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.9350 -10.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 2.1980 -10.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 1.1630 -10.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 1.1930 -8.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 1.4040 -10.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.1960 -10.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 0.3560 -6.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -0.0160 -4.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.2520 -3.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 1.5360 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 1.4910 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 1.3740 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.8040 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.8490 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.5890 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -2.6060 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -3.9360 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.2850 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 0.5580 -10.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 0.0870 -9.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 1.1050 -10.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 1.2710 -8.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 3.2840 -10.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 3.5850 -9.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 3.2820 -8.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 4.0970 -9.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 1.0990 -11.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 2.8180 -11.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 2.0760 -8.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 0.2970 -8.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 2.3700 -10.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 0.6150 -10.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 1.4000 -11.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.2080 -11.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -0.9820 -10.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.3660 -10.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.1300 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 1.3300 -7.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 30 2 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 59 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 M END