NIH-ZINC00251443 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -1.5930 1.1660 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 0.5400 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.4620 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -0.7550 -3.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.0400 -1.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -2.0190 -2.7160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3120 -1.5570 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 -2.1450 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -3.3790 -2.9090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4960 -3.1600 -3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -4.0120 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -3.9160 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -4.6400 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -5.2730 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.9970 -0.7080 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -3.7480 -5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -4.8200 -6.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -5.8950 -6.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -6.5360 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -5.5550 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 1.6940 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.4030 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 1.8830 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 1.3220 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 0.0280 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.7810 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -2.8910 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -1.1850 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -2.3990 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -3.3480 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -4.6950 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -5.8870 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -2.9730 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -3.3160 -5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -4.3840 -6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -5.2140 -5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -7.3600 -5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -6.9660 -4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -5.1390 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -6.0460 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -4.3670 -3.8570 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9610 -4.7400 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END