IBS-ZINC04044586 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 1 0 0 0 0 0999 V2000 -0.2000 1.2930 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.0160 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -0.7160 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -1.6900 1.1460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0740 -1.1660 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -2.3280 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -1.7750 1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -3.8080 1.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8920 -4.1760 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -4.5600 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -5.9090 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -7.0720 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -7.3040 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -8.5530 4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -9.5440 4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -9.3410 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -8.0820 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -7.5530 1.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -8.0230 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -6.2560 1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -5.3250 0.7870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7280 -5.2850 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -3.9900 0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.8180 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.6390 0.8440 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -5.7980 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -6.1990 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -6.6340 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -6.6690 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -6.2650 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -5.8250 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -6.3910 -3.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.4870 -4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -7.0480 -4.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 1.8700 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 1.7950 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.5930 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -1.2670 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 0.0210 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -4.6950 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -3.9880 3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.5370 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -8.7700 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -10.5080 4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -10.1220 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -6.1730 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -6.9460 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -5.5080 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -5.4990 -5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -7.1500 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 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 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 M END