NIH-ZINC04039873 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 -1.2370 1.1160 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -0.1610 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.8540 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.9690 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -1.9710 -0.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -2.6420 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.8710 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.5230 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 0.4790 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -1.3130 -3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.9060 -4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -3.0040 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.4640 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.5600 3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -1.1570 2.8770 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7800 -0.6120 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -1.0280 3.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -0.4320 5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.1820 6.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.1290 4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.4050 5.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -1.4760 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -2.9220 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -4.8170 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -2.6240 5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -2.6110 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -3.0190 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -4.3510 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -5.2790 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -4.8670 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -3.5330 3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -6.5900 1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -7.4890 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.0120 3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.9690 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 1.1360 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 1.1670 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.8660 -4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 0.0790 -4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -1.6270 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -3.8410 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -3.3600 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -2.5600 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -0.8360 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -1.4180 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -3.5610 3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -2.9800 5.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -5.0530 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 -5.3490 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -5.1230 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -1.5610 5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -2.7800 6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1740 -2.9760 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -2.2960 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -4.6690 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -5.5880 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -3.2110 4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -7.1900 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -7.4630 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -8.5010 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.2190 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -3.3700 4.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 34 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 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 62 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 62 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 62 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 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M END