IBS-ZINC04089842 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 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -0.1370 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 0.8160 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.8420 -2.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -0.4560 -3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -1.4110 -4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -2.4380 -4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -1.0870 -6.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -2.0420 -7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -1.8810 -7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -0.8540 -7.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -2.2050 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.2500 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.8220 -8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -3.5500 -9.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.8540 -8.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -3.7680 -10.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2200 -3.8590 -10.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -5.1440 -9.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -5.0540 -8.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -5.6920 -8.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -6.0990 -10.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -3.2290 -10.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.1870 -10.3510 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 -1.3090 -1.6040 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.5070 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 0.5620 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -1.2020 -5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -0.0600 -6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -3.0690 -6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -1.8120 -8.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -3.2320 -5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.0900 -6.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -0.2230 -5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.4810 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -2.2710 -8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -5.7820 -9.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -6.6720 -8.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -5.0110 -7.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -5.7090 -11.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -7.0790 -10.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -6.1900 -11.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 1.0430 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -3.9060 -11.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.0360 1.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -0.3480 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -3.5200 -12.1520 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