CHEMBRIDGE-ZINC01746983 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0020 1.4270 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 0.1730 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -0.5050 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.0780 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 1.3460 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 2.0110 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6380 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 0.0530 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -0.4830 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 -1.6770 -0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 0.4310 -0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 1.7280 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9220 3.0530 -0.4720 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 1.8130 -0.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 0.0260 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9110 -0.1280 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 0.0800 -2.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1540 -0.4970 -2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -0.5200 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 0.2800 -4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 0.2550 -5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 -0.5650 -6.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8770 -1.3650 -5.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 -1.3420 -4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 1.1090 -6.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5440 1.8320 -6.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 1.0890 -8.0810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9450 1.9550 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -0.2760 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -1.4840 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 1.8030 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 2.9900 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -1.7150 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2170 0.7860 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 -0.9240 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 -0.7470 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 0.9210 -4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4630 -0.5820 -7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6760 -2.0050 -5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2120 -2.1240 -3.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8290 -3.0040 -3.1270 H 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END