NIH-ZINC04092786 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 -1.1120 1.0540 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -0.4280 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -1.3160 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -2.6750 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -3.1470 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.2600 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.9000 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -4.6290 0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4230 -4.9340 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -5.3730 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -6.1140 -0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -5.2140 0.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -5.9370 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -5.5820 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -4.1970 1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -3.7590 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -4.9370 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.6800 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -3.7280 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -2.4720 -3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.4650 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.9680 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -5.4560 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -5.7320 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -5.6940 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -6.4240 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -6.6620 -2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -6.2850 -3.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -7.2930 -2.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -7.4180 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 -8.1660 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 -8.2820 -4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 -7.6430 -5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 -6.9170 -5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -6.8290 -4.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 1.3580 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.5920 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 1.2840 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -0.9470 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -3.3680 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -2.6280 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.2060 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -4.6210 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -5.6560 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -7.0100 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -6.1850 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.7810 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -3.9200 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -2.6980 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -4.3250 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -5.6180 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -3.4570 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -4.2030 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.5750 -3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.5490 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.0600 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -1.9040 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -4.2880 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -4.1640 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -6.3020 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -4.7380 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -5.8150 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -7.3800 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 -7.6600 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5300 -8.6490 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 -8.8560 -4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -7.7140 -6.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 -6.4180 -6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 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 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 33 34 2 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 M END