NIH-ZINC02981076 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 0 0 0 0 0 0999 V2000 0.2480 0.2070 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 2.6510 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 3.2920 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 3.1760 -0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 3.6580 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 0.9810 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 1.6840 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 1.3930 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 1.9730 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 1.4890 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 0.1050 -3.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -0.5360 -4.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.0360 -5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.7430 -6.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.0960 -6.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -2.6770 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -1.8900 -4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -3.9820 -5.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -4.8250 -7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.0470 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 0.5120 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6380 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 2.4570 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 3.3020 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 4.3490 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 2.7850 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 1.2450 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -0.1030 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 1.3030 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 2.7670 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 1.6710 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 3.0640 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 2.0640 -4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 1.6110 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 1.0820 -5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2940 -7.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -2.6630 -7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -2.3400 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -4.4770 -8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -4.9080 -6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -5.8240 -6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.3470 1.0450 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5020 1.5480 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END