OTAVA-ZINC06143538 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 0.5580 -0.1100 -3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -1.5760 -3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.6480 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -2.8880 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -4.0170 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -5.2650 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -5.4400 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -4.3030 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -3.0310 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -4.8220 2.3230 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -6.5060 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -6.5890 0.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -7.5890 2.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -9.0040 2.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1030 -9.2470 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -9.7960 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -8.8970 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -7.5320 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -6.5080 4.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -9.2010 5.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -11.2560 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -11.8050 3.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -12.0610 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -13.4560 3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -14.2010 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -13.5690 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -12.1880 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -11.4300 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -9.2970 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -10.0830 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -10.3520 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -9.8360 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 -9.0510 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -8.7770 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -10.1760 -1.9990 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 0.4000 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.0550 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.3700 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -2.0860 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.0560 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -3.9010 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -6.1300 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -2.1570 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -8.4290 6.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -13.9500 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -15.2790 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -14.1570 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -11.7010 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -10.3520 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -10.4860 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -10.9660 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -8.6480 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -8.1600 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 M END