IBS-ZINC02309577 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -2.3540 1.8350 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 1.5700 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 1.4730 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 0.3080 -0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 0.2660 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 1.3060 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 1.1230 -3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -0.1030 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -1.1520 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.9650 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -0.2790 -5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -0.1210 -6.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 0.2690 -6.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 0.5390 -5.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 0.2890 -7.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -0.0100 -8.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -0.3740 -7.8440 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -0.0640 -10.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 0.2870 -10.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -0.9430 -11.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -1.7410 -11.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -0.4920 -10.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -2.6860 -13.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -3.0300 -14.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -4.1370 -15.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -5.0140 -15.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 2.7720 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 1.8930 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 1.0200 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 2.3880 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.6500 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 1.2630 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 2.4030 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 2.2740 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 1.9500 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -2.1120 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.7810 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -0.5660 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 1.1030 -11.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.6480 -10.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.6830 -12.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -1.7620 -10.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -2.5870 -11.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -2.0090 -12.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -0.7210 -10.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 0.3200 -11.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -3.5150 -12.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.4340 -13.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -3.3230 -14.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -2.1560 -15.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -1.4720 -12.4590 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.7200 -13.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 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 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 51 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 3 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END