IBS-ZINC04729578 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -0.2720 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 0.4100 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -0.8490 0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -1.5960 -0.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9740 -1.3570 -1.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3680 -2.6960 -0.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -3.5780 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -4.7620 -0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -3.0380 -0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -3.7700 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -3.0160 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -0.7230 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -1.5180 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -0.9370 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 0.4400 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 1.2350 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 0.6530 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -1.1460 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 0.1600 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 0.5730 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3910 -0.3200 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -1.6250 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -2.0360 -2.4300 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 -4.2390 -0.7840 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -4.1260 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -4.6190 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -3.1070 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -2.9250 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -4.0360 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.3240 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -2.5940 -3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -1.5580 -5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 0.8940 -5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 2.3110 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.2740 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 0.8570 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 1.5930 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 0.0030 -4.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -2.3220 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -3.0550 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 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 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END