IBS-ZINC04736996 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0760 -4.6480 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -4.8050 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -6.3140 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -6.9720 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -8.4820 -0.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8720 -8.8350 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -9.0600 -0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -8.3400 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -9.1510 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -10.3860 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -10.3730 -0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -11.5990 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -6.9800 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -8.9090 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -9.6380 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -10.0310 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -9.6930 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -8.9630 -4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -8.5750 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -8.6320 -5.6940 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -10.7430 -4.0030 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -6.2700 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -6.8910 -0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -4.7700 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -4.4820 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -4.4130 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -12.0910 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -12.2900 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -11.2920 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -6.5110 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -9.9020 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -9.9990 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -8.0090 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -4.3510 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -4.4580 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 48 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 M END