CHEMBRIDGE-ZINC01138980 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -4.9040 -0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -6.6520 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -7.2790 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -8.5400 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -9.1240 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -7.8650 -0.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -10.4970 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -11.3520 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -10.9240 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -12.8070 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -13.3030 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -14.6640 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -15.5430 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -15.0670 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -13.7000 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -13.2310 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -14.2010 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -10.8380 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -12.6210 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -15.0460 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -16.6080 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -15.7590 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -14.8190 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -13.6930 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -14.8310 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END