IBS-ZINC02367339 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8320 -3.7060 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 -2.2320 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -2.7990 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -3.1680 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 -3.6850 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 -3.8100 1.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0420 -3.4540 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -2.9580 2.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 -3.6030 3.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0510 -4.1340 3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3190 -4.1010 5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0520 -3.5340 5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 -3.2750 4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9020 -2.7480 5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -2.4930 6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -2.7580 7.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7080 -3.2720 7.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0740 -3.0180 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 -3.5150 -2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -2.2170 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -2.6080 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -1.1450 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5870 -3.9760 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7680 -3.5040 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1020 -5.1580 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1670 -3.4520 5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5010 -5.1070 5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 -2.5380 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 -2.0850 6.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -2.5580 8.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4100 -3.4810 7.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -1.1510 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -2.4400 -2.1070 H 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 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 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END