IFLAB-ZINC05153188 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0120 1.7980 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 0.4200 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.4200 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.1130 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.5070 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 2.3400 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 2.1150 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 1.1670 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -0.8120 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 -1.0590 -0.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7930 -0.3760 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -2.1260 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 -1.6300 -2.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -0.6090 -3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 0.0350 -3.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 -0.3470 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -1.1510 -6.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -0.8220 -6.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -1.5770 -7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -2.6650 -7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -3.0030 -7.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -2.2480 -6.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -3.6010 -9.0020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -1.6350 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -1.0770 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 -1.8750 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -3.0240 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -3.1410 1.3380 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 2.4510 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 0.0010 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -1.4940 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 3.4180 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 2.4060 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 3.0250 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 1.5650 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.0090 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.1070 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -1.6930 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7950 -2.8690 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -2.6670 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 -2.0990 -3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 0.7240 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 -0.5630 -5.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 0.0240 -5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -1.3120 -7.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -3.8500 -8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -2.5250 -6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.1350 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 -1.6190 4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.8040 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 -0.1760 -0.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6430 0.0240 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 51 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 51 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 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 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 24 25 2 0 0 0 0 24 28 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 51 52 1 0 0 0 0 M CHG 1 51 1 M END