IBS-ZINC04041733 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.0520 1.1080 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0390 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 3.0440 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 3.4880 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 4.9490 2.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 5.8480 1.8670 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5720 5.6370 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 7.2790 2.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8140 8.0780 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 8.7500 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 8.6500 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 9.2820 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 10.0160 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 10.1220 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 9.4970 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 10.8450 -2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 11.4680 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 8.1670 0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 7.0970 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 7.9690 3.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 5.6290 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 5.1170 3.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 5.6800 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 5.3520 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 5.2000 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 5.3850 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 5.7120 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 5.8530 -0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.0190 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.4960 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.4630 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.3680 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.0500 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.4010 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 3.4200 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 3.4390 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 3.1650 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 3.0430 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 8.0770 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 9.2030 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 10.5080 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 9.5830 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 10.7050 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 12.1620 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 12.0110 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 7.7660 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 5.2150 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 4.9440 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 5.2750 -3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 5.8580 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 1.5760 1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 M END