NIH-ZINC04035486 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 0.0600 0.9700 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.3410 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -1.0160 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.4300 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -1.1180 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -2.3910 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -2.9820 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -2.3010 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.9010 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -4.2420 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.9340 1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -4.8800 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -6.9810 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -8.4900 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -8.3880 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -6.8790 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -10.4890 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -11.0330 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -10.2790 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -12.3570 1.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -12.8760 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -12.2920 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -12.8040 2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -13.9000 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -14.4840 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -13.9770 2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -14.4040 4.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -15.5340 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -15.9490 6.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -16.8710 5.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 -17.2520 6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0230 -16.7100 7.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -15.7880 8.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -15.4110 7.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.6020 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 1.3950 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 0.9110 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 0.5650 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -0.6590 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -2.9240 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -3.9770 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -2.3510 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -4.6190 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -4.5190 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -6.5740 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -6.7920 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -8.9720 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -8.6810 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -8.5770 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -8.7950 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -6.6880 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -6.3970 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -10.7380 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -10.9300 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -12.9520 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -11.4380 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 -12.3500 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -15.3370 4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -14.4340 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -16.3590 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -15.2700 5.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -17.2950 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6060 -17.9720 6.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8500 -17.0070 8.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -15.3640 9.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -14.6930 7.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -6.3390 -0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -9.0300 -0.2780 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 67 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 13 67 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 68 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 15 68 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 67 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 68 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 M END