IBS-ZINC04954912 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -2.3620 1.6830 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 0.3450 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -0.0930 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.8270 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.9360 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -2.5760 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -3.9600 0.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -4.3680 2.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9100 -3.8960 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -5.8960 2.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3820 -6.2800 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -5.0140 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.9460 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -7.3940 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -6.2790 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -5.4940 3.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -7.6060 3.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -7.9660 4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -9.2110 5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -10.1050 4.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -9.7560 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -8.5120 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 -3.9830 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -3.5110 4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -3.1580 4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 -3.2770 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 -3.7480 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -4.0970 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -2.9000 4.4820 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8840 -2.4850 5.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 -3.0040 3.8080 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7830 2.3640 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 2.1140 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 1.5250 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 0.5040 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -0.0860 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.2860 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 0.9780 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -0.4070 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -1.8860 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -0.7100 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -1.8970 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -2.5290 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -2.0150 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -2.5620 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -6.3680 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -7.2700 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -9.4900 5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -11.0790 5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -10.4590 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -8.2400 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -3.4180 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -2.7890 5.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 -3.8420 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -4.4620 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.5730 -0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 56 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 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 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END