OTAVA-ZINC05551961 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.3170 1.4510 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -0.0670 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -0.7090 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.2390 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.9320 0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5000 -2.6110 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -4.4780 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -5.0680 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -2.4940 1.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -1.7210 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -1.2780 0.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -1.4500 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.7610 2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 -0.4930 4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 0.6270 4.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 0.8210 6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 -0.1150 6.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0050 -1.2230 6.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -1.4070 4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 0.0540 8.3190 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4550 1.0410 8.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6410 -0.8000 8.8270 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0440 -2.1380 3.8870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -2.8180 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -3.6850 3.1200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 1.8890 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 1.8230 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 1.8030 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.3840 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -0.4040 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -0.3740 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -0.3680 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.5420 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -2.5760 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -0.3720 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 1.3320 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 1.6850 6.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6660 -1.9550 6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9460 -2.2850 4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -4.9650 -0.6740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 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 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 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 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 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 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 40 -1 M END