NIH-ZINC06498871 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 -0.2160 1.2210 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.6930 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 3.0470 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 3.4860 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 4.9250 1.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 5.8310 1.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2110 5.4810 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 7.1660 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 7.0040 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 5.5550 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 5.0700 2.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 7.8520 2.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 8.2630 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 8.2230 1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 9.5610 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 10.6270 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 11.8870 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 12.1060 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 11.0400 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 9.7750 3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 13.3910 3.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 13.6870 5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 15.1630 5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 16.0950 5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 17.4630 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 17.9140 5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 16.9980 5.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 15.6290 5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 5.8440 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 5.3260 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 5.3200 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 5.7810 -2.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 6.2910 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 6.3420 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 0.1560 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 1.4600 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 1.8090 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 0.9550 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.3510 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 0.8590 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 3.5650 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 3.2590 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 3.1840 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 3.0130 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 9.0970 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 10.4880 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 12.7100 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 11.1560 5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 8.9620 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 13.4490 5.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 13.1070 5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 15.7530 4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 18.1770 5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 18.9800 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 17.3510 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 14.9310 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 4.9380 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 4.9330 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 6.6710 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 6.7630 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 1.5610 -0.1040 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6760 1.3270 -0.0720 H 0 0 0 0 0 0 0 0 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 1 61 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 61 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 3 61 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 45 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 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 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 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END