IBS-ZINC06495868 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.0020 1.9440 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.5960 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.2630 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 0.2210 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.5800 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 2.4370 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -0.7090 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -1.0480 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -1.8080 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -2.1970 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -2.2630 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -1.8780 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -3.5430 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -4.8160 -5.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -5.4980 -4.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -5.1190 -6.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -6.3150 -7.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -6.3970 -8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -6.7980 -9.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -6.8660 -10.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.5310 -11.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -6.1350 -10.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -6.0520 -9.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -5.8510 -11.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -6.1280 -12.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -6.5440 -12.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 2.6120 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 0.2130 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -1.3120 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 1.9800 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 3.4910 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.2310 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -1.6320 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -0.1130 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 -1.1880 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 -2.7120 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -1.3190 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 -2.8200 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -2.9260 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -1.3810 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -2.7860 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.3120 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 -3.7980 -4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.7560 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -4.5190 -7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -7.1870 -6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -6.3130 -6.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 -7.0630 -8.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -7.1760 -10.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -5.7340 -9.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -6.9200 -13.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -5.2210 -13.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -3.0030 -3.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7300 -3.8550 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 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 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 53 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 53 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 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 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END