NIH-ZINC06576752 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0880 1.1210 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.5080 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.1380 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -0.1600 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.4400 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.0840 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -0.8580 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.8520 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 -0.2630 -0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -0.7570 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -0.0010 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3240 -0.5120 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.6650 -0.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 -2.3100 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -1.9320 -1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 0.4140 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3910 1.4290 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 1.2070 0.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 0.3480 0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9480 -0.4890 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2080 0.2830 1.7860 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6130 0.9350 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 1.0030 1.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3300 0.3520 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1680 2.0970 0.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7080 2.9440 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 1.5480 -0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3730 2.5970 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9790 3.7510 -0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9880 4.4510 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1840 4.2190 -1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4440 5.5630 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3470 6.4510 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8790 7.5160 -3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5090 7.6990 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6040 6.8180 -3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0680 5.7500 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9940 1.5670 2.7200 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4250 -0.9750 2.1380 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0010 1.6210 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 0.5300 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.6180 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 0.3970 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 1.5510 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 0.6220 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -3.2580 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8190 2.2970 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1840 2.8710 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7160 1.8280 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4200 6.3210 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5840 8.2020 -4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 8.5280 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 6.9590 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3410 5.0740 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 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 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 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 50 1 0 0 0 0 34 35 1 0 0 0 0 34 51 1 0 0 0 0 35 36 2 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 M CHG 1 39 -1 M END