NIH-ZINC04103237 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 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 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.7800 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -1.2050 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -1.1650 2.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -0.7480 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.5520 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -1.0730 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 -0.9850 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -0.6080 -1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 -1.3260 0.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 -1.2460 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -0.8580 -1.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 -0.8320 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4670 -0.4510 -3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -0.4900 -4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 -0.9060 -3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6570 -1.2830 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 -1.2490 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 -1.6510 -0.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 -0.9420 -4.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1390 -0.5380 -5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5920 -0.6440 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.5650 4.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -1.5000 5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -1.8200 6.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.0900 4.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.7270 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -0.3580 2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -1.0370 4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -2.0170 5.4260 C 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 -1.0200 -0.3810 0.0100 H 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 4.8970 -0.4220 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -2.1020 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -1.6280 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -0.1260 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8420 -0.1960 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 -1.6070 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 -1.1860 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 0.4940 -5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2190 0.0040 -5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9310 -1.6750 -5.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6610 -0.3360 -7.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -1.3620 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -0.0140 4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -1.6940 4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -1.1590 5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -2.7220 6.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -2.5050 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END