IBS-ZINC04823557 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.3880 0.9840 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.5110 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -1.1980 -1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -1.5180 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -1.2650 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.2220 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -2.5530 -3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -3.2700 -4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -3.4970 -4.1690 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -2.6830 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.5240 -1.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -2.9700 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -3.5740 -2.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -2.6620 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2870 -3.4530 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7030 -3.8290 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 -2.6610 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6300 -2.0910 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 -1.7130 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -3.7740 -5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -3.7330 -5.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -2.5010 -5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.2590 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -2.6950 -5.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -1.3150 -6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.2340 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 1.3400 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 1.5240 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.8850 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -0.7380 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -2.0160 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -1.6240 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 -3.3440 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7480 -4.3370 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 -2.6790 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 -4.1680 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6680 -4.6730 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6050 -1.8740 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 -2.9890 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1410 -1.2090 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 -2.8310 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 -0.9130 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -1.4020 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.1800 -6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -4.8170 -6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.9340 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -1.2310 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.5700 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -1.8190 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -2.8850 -6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -1.5450 -7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.4110 -6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -1.0760 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5410 -2.9140 -0.9610 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5230 -3.6470 -1.6960 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 10 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END