IBS-ZINC04116427 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.1040 3.3930 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 1.9900 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.1580 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -0.2180 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -1.0650 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -0.5390 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 0.8450 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 1.6860 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -1.4440 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -2.6510 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 -0.9100 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -1.7420 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 -1.1890 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1380 0.1440 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 0.2580 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0800 -0.9880 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0550 -1.9470 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 -3.3040 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6860 -3.7000 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7000 -2.7540 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4060 -1.4080 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2190 1.5280 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5540 1.9440 1.5830 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.0960 1.1380 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4230 3.2030 1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8510 2.6740 3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1690 3.0470 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5490 4.4240 4.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5480 5.3200 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2230 4.9700 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3450 2.2130 2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 3.9420 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 3.6310 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 3.6760 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -0.6240 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.1340 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 1.2560 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 2.7560 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 0.1600 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 -2.8110 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4430 0.9700 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -4.0420 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9310 -4.7520 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7310 -3.0760 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2030 -0.6800 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6010 2.2960 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1410 1.4090 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8630 4.0220 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3230 3.0120 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5050 1.6410 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7480 2.7830 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9880 2.4270 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2860 2.8860 5.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9170 6.3440 4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6470 5.2260 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1100 5.1160 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4200 5.6140 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 2.9210 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7980 3.5650 2.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 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 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 59 1 0 0 0 0 31 58 1 0 0 0 0 M END