NIH-ZINC04039836 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -0.5050 3.4340 -2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.9930 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 1.1860 -3.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.1180 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.5690 -1.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.9940 -3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.3250 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -2.7720 -4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.6760 -5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -0.6140 -4.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 0.2810 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -1.6780 -6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -4.1390 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -4.9550 -5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -4.6590 -6.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0670 -3.7640 -7.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -5.8190 -7.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -6.7230 -7.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -7.7940 -7.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.2180 -6.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -6.8030 -5.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -5.9680 -8.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -5.4080 -9.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -4.8240 -11.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -6.9750 -10.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -4.4680 -5.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -5.5600 -4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -5.3890 -4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -4.1240 -3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -3.0260 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -3.1980 -5.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -2.1220 -6.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -1.7510 -7.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -1.7820 -4.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -1.6800 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -4.5990 -4.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.1600 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 3.8380 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 3.4520 -3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 4.0400 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.9760 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 1.5900 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.9010 -7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -0.6980 -6.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.4360 -6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -7.0240 -8.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -5.4220 -7.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.3520 -9.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -5.9540 -10.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -5.2100 -12.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.7640 -11.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -4.9510 -12.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -7.4800 -10.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -7.4400 -11.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -7.0570 -11.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -6.5500 -5.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -6.2440 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -3.9930 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.5800 -7.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -1.5090 -7.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.8800 -7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -2.2670 -3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -2.0600 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -0.6360 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -5.5090 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.5850 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -3.9650 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -2.5350 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -5.5570 -10.6780 N 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 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 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 48 1 0 0 0 0 23 49 1 0 0 0 0 23 69 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 69 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 69 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 M END