CHEMBRIDGE-ZINC01078374 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -0.0460 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 -1.2500 -0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -2.5370 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -2.0180 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -4.2630 -0.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 -4.2090 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 -5.6140 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -6.5590 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -5.8210 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5340 -7.1880 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0400 -7.1430 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7410 -7.1290 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1220 -7.0880 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8090 -7.0610 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1040 -7.0760 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7190 -7.1220 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9980 -7.0440 -2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2620 -7.4220 -1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1450 -7.0210 -0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9840 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 1.0260 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.6800 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 -3.6890 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 -5.0660 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 -7.7160 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1780 -7.7070 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2070 -7.1490 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6670 -7.0770 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 -7.1380 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4090 -8.5000 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0790 -6.8890 -2.2970 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 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 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 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 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END