NIH-ZINC00424562 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.1080 1.6780 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 0.1600 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.5360 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.0510 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -1.8370 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.3200 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -3.9810 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -4.4420 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -5.9030 1.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -6.3530 2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -5.6060 3.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -7.7920 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -8.3460 4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -9.7260 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -10.4900 3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -9.9710 2.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -8.6310 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -8.0970 0.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -8.7660 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -6.7640 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -6.3220 -0.9670 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.0230 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 2.1750 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 2.0060 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.1050 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -0.2450 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.2090 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -2.4330 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -2.5200 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -2.1470 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -2.2170 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 0.0220 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 0.1250 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -4.3430 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -4.3540 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -3.9600 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -4.1310 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -7.7170 5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -10.1940 5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -11.5720 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -2.4660 1.1230 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2450 -2.1080 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 41 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 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 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END