IBS-ZINC03983787 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5490 -1.7850 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -0.2760 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -0.1920 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -0.5840 -0.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.2910 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 0.1240 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 0.9120 -2.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 1.4410 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 0.9360 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 0.1140 -1.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 -0.6390 -0.3750 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2630 -0.9830 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 -1.8360 -1.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1020 -1.5680 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 -2.0780 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7710 -2.3050 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 -0.7440 0.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7220 -0.8970 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0010 0.1660 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3700 -0.1830 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5010 0.9920 1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4920 -3.1390 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 -2.9800 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 1.3040 -2.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2730 2.1280 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 2.6540 -4.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 2.3340 -4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 2.8010 -4.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 0.6970 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -1.0210 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 0.8290 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -0.8760 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -0.8880 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 0.7720 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0920 -0.9300 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5560 0.0680 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3760 1.4020 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 -3.3330 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2760 -3.7550 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2970 2.4000 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 3.2640 -5.1160 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 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 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 35 2 0 0 0 0 M END