IBS-ZINC05529156 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 0.0090 1.4490 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.0580 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.5450 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -0.5600 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.1180 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -0.1440 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -0.6060 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -1.0440 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -1.0270 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -1.4910 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -1.4480 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.9760 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.9510 2.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -1.9060 2.5260 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8320 -2.4110 2.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -1.7770 3.5280 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3130 -1.9580 0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -3.1400 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 -3.3600 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 -2.7710 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4480 -2.9690 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 -3.7590 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 -4.3520 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 -4.1540 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 -5.0720 1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0510 -5.2470 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1960 -4.1080 0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 1.8120 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.9600 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.6470 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.2560 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.5690 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 0.2440 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.1990 -4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -0.6190 -4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -1.4020 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -1.5020 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -2.9900 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -4.0130 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 -2.1540 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1370 -2.5080 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 -4.6160 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0960 -6.1730 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8180 -5.2380 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END