CHEMBRIDGE-ZINC04685215 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.8390 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.9320 -0.1410 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -2.3070 0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -3.7500 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -3.9920 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -3.1500 1.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 -1.7230 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -1.3880 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -3.4600 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -2.7730 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -3.0820 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 -4.0730 4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 -4.7590 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -4.4590 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9710 -4.4010 5.3560 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.0280 -3.7980 5.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 -5.2740 6.1680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8870 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8770 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3560 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.3660 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 0.1090 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -4.1000 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -4.2850 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -5.0410 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -3.7380 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 -1.1260 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -1.5010 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -0.3600 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -1.5060 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 -1.9990 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2120 -2.5490 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 -5.5320 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -4.9980 3.1910 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 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 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 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END