IBS-ZINC02424667 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -2.8560 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 -3.5370 -1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 -3.9860 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 -3.3380 -3.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7530 -2.5660 -1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -2.6860 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8810 -2.0350 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -1.2570 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0990 -0.5570 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1960 0.2260 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1760 0.3450 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0620 -0.3200 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9450 -1.1370 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8110 -1.8020 -1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 -3.4970 -4.4490 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0920 -2.3380 -4.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3510 -3.8840 -5.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3710 -4.8600 -4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6350 -4.6540 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4940 -5.7230 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0900 -6.9980 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8260 -7.2040 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9690 -6.1340 -4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.5870 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -2.0100 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -1.8960 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -3.4730 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -3.6750 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -5.0700 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3480 -0.6400 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 0.7630 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0360 0.9720 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8300 -0.2200 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9510 -3.6580 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4810 -5.5620 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7610 -7.8330 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5100 -8.2000 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9830 -6.2940 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END