NIH-ZINC02516030 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0580 1.1960 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.1970 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.8340 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -0.1070 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.2850 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 1.9520 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 3.4640 -0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0860 3.7890 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 4.0550 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 5.5830 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 6.1330 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 8.1080 -4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 9.6020 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 10.4230 -3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 9.8970 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 8.4040 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 11.9210 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 12.5390 -4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 13.9040 -5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 14.6780 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 14.0960 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 12.7290 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 16.3590 -4.3110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 10.1500 -4.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 3.9860 0.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -2.1720 -0.2480 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 1.6850 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.7850 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -0.6250 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 1.8520 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 3.7880 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 3.6270 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 5.8730 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 5.9990 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 5.9290 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 5.6930 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 7.5530 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 7.8490 -4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 9.8890 -5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 9.8000 -4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 10.4180 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 10.0790 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 8.1560 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 8.0660 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 11.9540 -5.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 14.3520 -6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 14.6990 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 12.3230 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 10.9450 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 3.3790 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 7.6380 -2.8880 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3240 7.8330 -2.4770 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END