IBS-ZINC06645544 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.0340 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.8220 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -2.6890 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.0980 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -4.1960 0.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5850 -4.5520 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -4.6980 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -6.2270 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -6.7820 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -6.1920 0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -4.7280 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -7.1560 2.3050 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -6.3590 3.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -8.3890 1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -7.5090 2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -6.6750 3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -6.9520 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -8.0620 4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -8.8970 3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -8.6230 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.4710 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -4.3620 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -4.3000 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -6.5820 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -6.5640 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -6.5220 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -7.8660 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -4.4570 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -4.3010 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -5.8070 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -6.3000 5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -8.2780 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -9.7650 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -9.2770 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 1.2850 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 1.5570 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 48 49 1 0 0 0 0 M END