OTAVA-ZINC05582042 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.0000 1.4970 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0330 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.5500 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.5490 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.3310 0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -0.9180 0.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -1.5490 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -1.3290 -0.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.7930 -2.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -2.4960 -1.3380 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -2.3070 -0.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5510 -2.6260 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 -0.8390 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -3.1540 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1030 -3.5240 -1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9950 -3.4990 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -4.2030 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 -5.1440 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1200 -5.8380 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3530 -5.5950 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4740 -4.6570 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3600 -3.9650 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0230 -4.3540 0.6860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.9730 -7.0150 -2.8920 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.8700 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8650 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 1.8450 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.3810 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.2020 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.6400 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.1770 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -2.6900 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -1.8420 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 -0.5190 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 -0.7250 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -0.2260 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 -3.2600 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 -5.3340 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2240 -6.1380 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4540 -3.2370 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 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 37 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 M END