CHEMBRIDGE-ZINC00285016 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.3760 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.7530 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 1.0840 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -0.3470 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.3270 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -0.6500 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 0.0370 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 1.7490 -0.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -0.6220 -0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 0.1250 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 -0.8550 -0.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3500 -1.5440 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 -0.0910 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4150 -0.0020 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6060 0.6990 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0490 1.3110 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3020 1.2220 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1120 0.5170 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3250 2.0630 -0.4890 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9830 2.1420 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7150 2.6020 -1.5090 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2510 -1.5930 -1.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 2.5720 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 1.3790 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -1.1660 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 0.0340 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -1.6170 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -1.5920 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 0.7560 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 0.7490 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 -0.4800 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1910 0.7690 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 1.7010 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 0.4440 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 -1.0430 -2.5090 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 24 1 0 0 0 0 2 3 2 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END