IBS-ZINC04089906 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 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 0.5120 -0.3560 -0.8950 H 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 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.0340 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -0.7600 -2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 1.2180 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 1.7030 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 3.1440 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 3.7580 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 3.6930 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 5.1330 -3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 5.1630 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 4.5480 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 4.6140 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 3.1730 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4020 6.5820 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 7.4810 -2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 6.8510 -0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7560 8.2310 -0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7840 8.7620 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7780 8.9300 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 8.3990 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 8.9350 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2370 10.3710 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1320 8.2260 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6890 7.1780 0.1430 O 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 0.2320 -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 -2.5490 1.7980 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 1.6700 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 1.0710 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 3.6720 -4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 3.0780 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 5.7480 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 5.5240 -4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 5.2280 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 4.6350 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 2.5590 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 2.7820 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6830 6.1320 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 9.4670 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 9.4340 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 7.9090 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2330 10.3680 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 10.8700 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2650 10.9020 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.3530 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 9.3860 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0020 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -2.3630 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6220 9.3320 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 33 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 7 1 0 0 0 0 5 56 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 54 56 1 0 0 0 0 55 58 1 0 0 0 0 56 57 1 0 0 0 0 M END