NIH-ZINC01813680 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0680 1.0470 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 0.9220 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 2.9260 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 3.4280 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 4.8870 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 5.8520 -0.6290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9570 5.7200 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 7.2220 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 8.5120 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 8.9080 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 10.0810 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 10.4480 -3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 9.6520 -4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 8.4840 -4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 8.1070 -3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 7.4950 -5.5850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 10.0170 -6.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 11.2290 -6.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 9.2560 0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 7.0300 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 8.0100 0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 5.5790 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 5.0840 1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 5.6780 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 5.6020 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 5.4420 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 5.3580 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 5.4340 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 5.6000 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 5.2010 1.4980 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.0410 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 1.4130 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.4600 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 1.3430 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -0.1630 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.1860 3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 3.3680 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 3.2100 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 3.1430 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 2.9850 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 10.7000 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 11.3540 -4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 7.1980 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 12.0610 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 11.1460 -6.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 11.4030 -7.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 7.6860 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 5.6670 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 5.3820 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 5.3690 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 5.6630 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.4620 1.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 52 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 19 2 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END