NIH-ZINC04039903 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 1.3410 1.6130 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 1.1330 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -0.0690 -1.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.6200 -2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.1560 -3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -1.8220 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.7200 -4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -3.7090 -4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -3.4200 -2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -2.2820 -2.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.8230 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 -4.1070 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -4.8320 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -4.5860 -6.4380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5490 -5.8300 -7.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1430 -6.6150 -6.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -6.3790 -7.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -5.5940 -7.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 -5.7670 -7.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -4.4220 -6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -3.4920 -6.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -7.6610 -8.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -7.5260 -9.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -8.8840 -10.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -10.0300 -12.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 -9.8300 -14.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -9.3830 -13.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -8.1240 -13.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -8.2330 -11.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -5.4830 -8.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -5.9610 -8.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -5.5900 -9.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -4.7400 -10.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -4.2600 -10.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -4.6410 -9.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -5.9340 -4.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -2.6530 -5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 0.8490 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.8030 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5320 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.9270 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 1.8980 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -4.2950 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -3.5060 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -5.0660 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -8.2640 -7.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -8.1650 -8.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -7.1020 -10.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -6.8170 -10.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -9.4160 -9.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -9.5050 -10.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -10.3130 -12.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 -10.7770 -12.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -10.7810 -14.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 -9.1110 -14.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 -7.8280 -13.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 -7.3660 -13.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -8.9670 -11.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -7.2590 -11.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -6.6110 -7.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -5.9450 -8.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -4.4090 -10.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -4.2200 -9.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -3.6860 -6.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -1.9390 -6.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -3.6310 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -2.3460 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -8.7250 -11.9050 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7720 -8.0290 -12.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 64 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 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 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 63 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END