IBS-ZINC01258747 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.8850 1.0920 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.0340 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -0.1860 0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.7020 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.0290 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.3870 -2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.5560 -3.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -1.1970 -3.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.0450 -2.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6660 0.5870 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 0.7580 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 2.1600 -2.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 2.9200 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 2.2860 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 0.9000 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 0.1390 -2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 3.2220 -3.0760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.0890 -4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.2270 -5.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -2.1260 -7.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.8740 -7.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 0.2760 -6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.1630 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.7660 -9.5210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 0.6480 -9.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -1.6680 -9.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -1.2480 -9.8320 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.5680 -9.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.9500 -0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 2.0800 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 0.9600 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 1.0110 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 2.6740 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 4.0020 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 0.4020 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -0.9430 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -3.2260 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -3.0210 -7.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.2550 -7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.0870 -4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.8230 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 29 41 1 0 0 0 0 M CHG 1 27 -1 M END