OTAVA-ZINC05581590 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.1720 1.3840 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.1200 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -0.8590 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -2.2380 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.8810 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.1360 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -0.7580 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.8300 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -4.2780 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -4.9670 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -4.3740 -2.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -6.4740 -1.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5970 -6.8180 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -6.9990 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.0900 -2.3530 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -8.8160 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -9.3990 -1.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -10.6690 -1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -10.9710 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -9.8010 -2.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -9.6500 -3.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -3.0430 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 1.7930 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.7620 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.6860 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.3580 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -0.1770 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -2.9320 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -2.2420 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -3.8180 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -4.7500 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -8.0890 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -6.6550 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -6.6280 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -11.9610 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -9.7030 -4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -10.3300 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -3.2830 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -3.9660 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -2.4630 3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END