IBS-ZINC06624493 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0710 1.4600 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.0460 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.7370 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.6020 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -2.0180 0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -2.7210 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -2.1800 0.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -4.1780 -0.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0570 -4.2920 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.9730 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -4.6670 -0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -5.7450 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -6.3870 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -7.4790 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -7.9510 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -7.3040 -2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -6.2040 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -8.0270 -2.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -7.9610 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 -8.8970 -3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4840 -9.8490 -3.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -9.9540 -4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 -9.0450 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -9.0140 -3.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -9.9380 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -9.9260 -4.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -10.9600 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -10.9830 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -11.9480 -5.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -12.8860 -6.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -12.8680 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -11.9170 -5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 1.8560 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 1.9520 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.6450 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.2320 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.5520 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.8100 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.3410 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.4970 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.0490 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.4510 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -4.8590 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -6.0270 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -4.6000 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -6.0270 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -7.9710 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -5.7060 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6170 -7.1980 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0470 -8.8480 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3700 -11.9650 -5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -13.6370 -6.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -13.6070 -7.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -11.9140 -5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 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 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END