IBS-ZINC05345400 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -3.8330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -4.2050 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -3.4030 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -1.9080 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -1.5100 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -3.7810 -2.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -3.6250 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8580 -3.1700 -0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3140 -4.0040 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 -3.8940 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 -4.3630 -4.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4500 -4.4880 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6150 -4.9880 -6.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 -5.3770 -6.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2400 -5.2640 -6.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0470 -4.7570 -5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9250 -4.5230 -4.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -4.6960 -4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2120 -5.1410 -6.7520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -4.3260 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -4.1470 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -3.9730 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -5.2700 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -3.6170 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -1.6970 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -1.3380 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -1.6380 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -0.4690 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -4.1430 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2610 -3.5170 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3110 -4.1880 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6620 -5.7710 -7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 -5.5690 -6.9330 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 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END