IFLAB-ZINC04248899 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0150 1.3370 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 0.5240 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.0710 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -0.8740 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -1.4800 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.2850 -3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -0.4760 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 0.1300 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -1.9330 -5.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.6370 -5.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -1.7440 -5.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -2.4430 -6.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -1.7570 -7.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -2.4410 -8.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -3.7570 -8.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -4.4770 -7.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -5.4470 -7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -3.8460 -6.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -4.4840 -5.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -4.6060 -9.6610 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 -3.1960 -10.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 -3.6950 -11.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -4.8870 -11.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7720 -2.8170 -12.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5220 -3.3020 -13.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5220 -2.2360 -14.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -1.8630 -15.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 -3.0990 -14.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -3.5390 -13.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -0.3740 -7.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.7300 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 2.1490 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.7510 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.0240 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -2.1050 -4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -0.3240 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 0.7580 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -1.1260 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -2.5850 -10.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -2.5970 -9.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -1.8640 -12.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -4.2270 -14.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -2.6440 -15.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -1.3580 -14.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 -1.6940 -16.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 -0.9800 -14.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 -3.8850 -15.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8110 -2.8220 -14.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 -2.9270 -12.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 -4.5940 -13.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 0.1200 -6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.1020 -8.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 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 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END