NIH-ZINC06577164 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -2.6830 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -4.0460 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -4.6260 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.7790 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -2.3960 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -4.7720 0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -6.2320 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -5.9320 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -7.5230 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -8.5750 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -8.3920 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -9.9790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -10.9790 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -12.4040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -12.5640 -1.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -11.6010 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -10.1850 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -13.8070 -2.1860 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -13.3960 -3.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -14.1890 -2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -15.1740 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -15.4420 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -16.5890 -1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -17.0350 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -16.9810 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -16.1340 -0.7450 N 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.2530 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -4.6810 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -1.7490 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -7.6690 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -10.1350 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -10.8400 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -10.8160 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -13.1200 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -12.5730 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -11.7870 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -11.7050 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -9.4570 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -10.0540 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -14.8640 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -17.8550 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 M END