NIH-ZINC04004655 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 0.7040 -0.2370 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.6700 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.6860 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -4.0020 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -4.3060 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -3.2870 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -1.9660 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.8580 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -3.5900 -1.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -4.2810 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -4.4340 -3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -5.0900 -3.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -4.5340 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -4.3780 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -6.1720 -4.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -6.5620 -5.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -6.8960 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -8.3500 -5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -9.0920 -5.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -8.3580 -6.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -6.9290 -6.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -6.2120 -5.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -9.1260 -7.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -8.1180 -8.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -10.2550 -7.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -9.7570 -7.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -10.9690 -6.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 -11.0580 -6.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6540 -9.9480 -6.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -9.1070 -7.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8800 -8.2100 -7.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 0.1870 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.3370 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.1980 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.4520 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -4.7940 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -5.3340 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.5120 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.2300 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -0.0320 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -3.6990 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -5.2670 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.4510 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -5.0450 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -3.5610 -3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -5.2120 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -5.3620 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -3.8660 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -6.8700 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -8.3760 -6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -8.8300 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -10.0990 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -9.1440 -4.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -6.5090 -6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -6.8060 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -5.1700 -5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -6.2580 -6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -11.7340 -6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7080 -9.7360 -6.4860 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 M END