NIH-ZINC04083256 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 1 0 0 0 0 0999 V2000 0.6270 1.0410 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.0640 0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -1.1030 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -2.2280 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -2.8460 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -3.8670 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -4.2730 1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -4.5030 -1.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6940 -4.2080 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -4.0480 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -3.1150 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -2.6970 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -3.2130 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -4.1480 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -4.5680 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 -2.8050 -2.2700 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -5.9610 -1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -6.5700 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -6.8330 1.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5210 -5.9260 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -7.3460 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -8.3950 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -8.3920 1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -7.9010 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -6.7420 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -6.2380 -3.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -8.2420 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -8.8860 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -10.3860 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -10.8900 -2.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -11.1660 -4.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -12.5470 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -13.3580 -4.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -14.7270 -4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -15.2400 -3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -14.3760 -2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -13.0750 -2.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.4860 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 0.6940 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 1.7860 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.4940 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.7020 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.9780 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -1.8190 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -2.5210 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -2.7110 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -1.9670 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -4.5520 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -5.3010 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -7.5120 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -5.8940 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -7.8100 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -6.5310 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -9.3780 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -8.0990 3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -9.4020 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -7.7250 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -8.5770 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -8.5330 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -8.5500 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -8.5950 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -10.7680 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -12.9250 -5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -15.3810 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -16.3040 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -14.7710 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 25 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 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 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 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 35 36 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 M END