NIH-ZINC03855852 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.6830 0.5990 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -0.9160 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.3640 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -1.6400 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -2.0450 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -2.1880 -3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.9070 -3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -1.4900 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.0630 -4.9710 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -1.5760 -4.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.4870 -6.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -3.7420 -5.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -4.6110 -4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -4.4530 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -5.3200 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -6.3590 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -6.5050 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -5.6490 -3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -7.5210 -2.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -7.3240 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -8.2160 -0.7930 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5580 -2.6200 -4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -1.4580 -5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 1.0100 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.0610 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.8950 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.3540 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -1.3040 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.5430 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -2.2550 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.2720 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.0990 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -3.6700 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -5.1900 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -5.7990 -4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -8.0120 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 -3.3880 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1150 -5.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -0.6600 -5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -1.0230 -4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -1.8030 -5.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -7.1900 -0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 42 2 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 21 -1 M END