OTAVA-ZINC05214860 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.5130 0.4040 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0060 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6390 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -1.0640 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -1.7070 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -1.5020 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -0.8540 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -2.5820 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -1.8860 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -0.6730 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2390 -2.6840 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5270 -2.2440 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5910 -3.1660 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8690 -2.7290 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9790 -3.6920 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3010 -3.2440 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3370 -4.1540 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0720 -5.5060 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7680 -5.9580 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7210 -5.0610 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1930 -6.4780 0.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 -16.3420 -6.0850 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9640 -7.6690 0.1110 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6680 -4.3560 -0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -3.9140 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -4.9850 -0.2440 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.8950 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.4690 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 1.1000 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -0.8920 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -2.0390 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -1.6740 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -0.5190 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -1.1870 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3880 -4.2220 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0720 -1.6730 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5090 -2.1890 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3580 -3.8100 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5700 -7.0150 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7040 -5.4140 0.0770 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 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 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END