IBS-ZINC05454008 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 0.0300 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 -0.6340 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -2.0340 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -2.7520 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -2.0830 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 -2.7480 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 -2.1250 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -4.2550 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 -4.8310 -0.1110 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 -6.5740 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 -7.1590 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -7.3490 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -8.5060 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 -8.7550 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 -7.5160 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7070 -10.0640 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -11.0870 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -10.7740 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -9.5240 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 -12.7450 -0.1480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9850 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 1.1100 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 -0.0780 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 -3.8320 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -2.6370 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -4.6310 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 -4.6220 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 -10.2810 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 -11.5720 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 M END