CHEMBRIDGE-ZINC02856295 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5250 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0050 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -0.5180 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5350 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.9930 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.6820 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -2.0950 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1830 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -4.7130 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -6.2130 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -6.8010 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -6.9020 -0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -8.2830 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -9.0610 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 -10.4230 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -11.0130 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 -10.2410 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -8.8790 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2470 -10.8770 -2.3150 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2370 -12.0790 -2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 -10.1980 -2.7410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0030 1.9030 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8910 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.8710 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.3510 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.1720 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -1.6080 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.1410 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -0.2640 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.0990 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.4630 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -4.4540 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -4.6190 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -4.4420 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -4.2760 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -6.4410 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -8.6000 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -11.0280 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -12.0780 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 -8.2770 -1.7040 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 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END