IBS-ZINC05499514 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -1.9290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -2.6760 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0360 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.8300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.3550 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -3.1810 -0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -4.4490 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -4.5920 -0.0360 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -5.5030 -0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -5.2520 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -4.1080 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -6.3950 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -5.7380 -0.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -7.1940 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 -7.0930 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9120 -8.2360 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3090 -9.4820 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 -9.5860 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -8.4460 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2860 -10.9170 -0.2230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0320 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -2.4250 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -3.7550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -6.4180 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -7.0140 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -6.9960 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 -6.1210 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9890 -8.1590 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 -10.5590 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -8.5280 -0.1410 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END