IBS-ZINC05032264 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.3490 1.5210 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.0410 0.3040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9190 -0.1760 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 0.2970 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 0.7610 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 1.1750 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 1.1170 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 0.6410 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 0.2300 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -0.2920 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -0.5460 -2.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -0.4990 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -0.7090 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -0.9390 1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.0000 -0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -1.5190 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -1.7480 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -2.2380 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -2.5120 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -2.2850 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -1.7950 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -3.0320 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 -3.2070 -2.6930 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5430 2.1220 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 1.6380 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 1.9520 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.3430 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -1.2440 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 0.8040 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 1.5400 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 1.4370 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 0.5900 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.8230 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -1.5460 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -2.4050 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -2.4900 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.6330 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0530 -3.2540 -0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 M CHG 1 23 -1 M END