NIH-ZINC06191413 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.3530 1.6430 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 1.4560 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 0.4700 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -0.3290 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -0.1390 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 0.8510 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.8970 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -1.0270 -2.7850 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4950 -1.6290 0.2420 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -1.3840 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -2.8800 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.3870 -0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -0.1490 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 0.1660 -2.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6090 -0.7300 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 1.2620 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 1.3560 -3.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 2.3090 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5730 2.3890 -4.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5960 3.3150 -4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 4.1660 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3410 4.0970 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 3.1680 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 5.4230 -4.0080 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 0.6330 -3.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -0.0590 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 2.4050 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 2.0710 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 0.3260 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 1.0100 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 -1.4290 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 0.6890 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 -0.3200 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 2.2210 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 1.0000 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 1.7240 -5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0810 3.3610 -5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6320 4.7580 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8440 3.1390 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -1.2990 -3.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 40 2 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 8 -1 M END