CHEMBRIDGE-ZINC04196873 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2030 -0.6770 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 1.9450 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 1.1250 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -0.4950 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 1.5380 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 0.9780 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 1.3490 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 1.3550 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 0.9840 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 1.0130 -0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7620 0.6190 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9420 0.3660 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 1.5390 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1600 1.4720 -3.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3210 2.6620 -1.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 2.4830 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 3.3600 0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 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 1.2160 -1.7570 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 2.6260 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 1.4030 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -0.1060 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 2.4340 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7580 0.9400 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 0.9490 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 2.4400 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -0.1010 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 1.4120 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7120 -0.3500 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1800 -0.1140 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 3.5330 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8560 0.7960 -0.0780 N 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 39 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 13 39 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 17 1 0 0 0 0 15 21 1 0 0 0 0 15 39 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 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 M END