NIH-ZINC04144055 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -5.2680 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -6.7010 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -6.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -6.7150 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -5.2870 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -7.3580 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -7.5390 -1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -7.5980 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -8.0620 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5980 -8.3030 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -8.1220 3.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8800 -8.7210 2.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5630 -8.9550 3.6520 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.8490 -9.3500 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6840 -9.9710 3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5190 -10.0400 4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2950 -8.7320 4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3720 -7.5500 4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 -7.6520 4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3210 -6.5210 4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7710 -5.2990 4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0270 -5.1980 5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8220 -6.3200 5.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -4.5620 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -5.1340 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -6.8260 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -7.4060 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -6.8500 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -7.4220 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -5.1660 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -4.5830 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -8.3660 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -6.6740 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 -7.2950 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 -8.9870 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 -8.8660 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3140 -9.6570 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2560 -10.9510 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2160 -10.8760 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8610 -10.1710 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0610 -8.6840 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7720 -8.7000 5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 -6.5990 3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1440 -4.4240 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3840 -4.2450 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8030 -6.2400 5.6290 H 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 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 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 42 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 17 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 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 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M END