CHEMBRIDGE-ZINC04688249 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.1950 -0.4600 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -1.8740 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -2.2530 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -1.3030 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -1.6840 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -3.0140 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -3.9560 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -3.5790 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -4.5910 0.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7070 -5.4780 -0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -4.5370 1.4090 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8040 -0.7320 0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -1.3480 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 -0.2510 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 0.5890 1.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 1.1320 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 -0.0200 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2540 0.8560 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 0.1890 2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2720 1.9490 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2900 2.2170 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0430 3.3030 4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 3.9050 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 3.1200 3.4340 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -0.3600 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.1040 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -0.0730 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -2.5460 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.2710 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -3.3110 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 -4.9880 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -1.9130 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 -2.0180 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 0.3580 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 -0.7060 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 1.8740 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 1.5910 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -0.7080 2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 0.3790 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1980 1.6340 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 3.6460 5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 4.7690 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 17 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 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END