IBS-ZINC04327964 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.1480 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -0.5080 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -1.1520 -0.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -0.1540 -2.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -0.5450 -2.8190 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7010 -1.3130 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -1.0400 -4.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6450 -0.9960 -4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 -0.0970 -4.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 0.8040 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6900 1.7040 -4.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 0.6240 -2.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4670 1.4580 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 -0.1380 -6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -2.4040 -4.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -3.3280 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -3.0300 -5.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -4.5830 -5.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -5.5880 -6.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -6.9170 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 -6.7620 -6.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -7.9970 -6.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 0.3660 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 0.3600 -3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 2.2730 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 1.8690 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 0.8520 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9760 -0.7550 -6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 0.8740 -6.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -0.5620 -6.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8550 -2.6430 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -4.8220 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 -5.2550 -7.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -5.7210 -5.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -7.2060 -4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1860 -5.9930 -5.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 -6.4740 -7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -7.7090 -6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -8.1070 -6.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -8.9440 -6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 -7.7080 -7.7230 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 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 49 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 M END