NIH-ZINC06245193 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 1.2300 2.6650 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 1.4920 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.5660 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.5100 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.6590 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 0.2680 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 1.3460 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -2.0310 -0.8130 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -2.1850 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -1.8360 -2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -3.3800 -1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -4.6290 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -5.5760 -0.9810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3260 -4.5470 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -5.9660 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -6.4920 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -7.1750 0.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -4.7580 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -4.3660 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -4.4890 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -5.0000 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -5.3910 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -5.2790 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 2.3950 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 3.5130 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 2.9360 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 0.6830 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.2340 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.1510 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 2.0720 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -3.2920 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -6.9640 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -5.2510 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -5.9620 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -3.9660 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -4.1850 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 -5.0940 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -5.7890 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -5.5880 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -5.6940 -1.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -6.5510 0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -7.1540 1.0880 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 40 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 41 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 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 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 41 42 1 0 0 0 0 M END