IBS-ZINC04994838 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -1.2800 -4.7710 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -6.1200 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -6.9510 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -8.3230 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -8.8750 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -8.0600 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -5.7940 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -6.2130 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -5.0490 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -4.0160 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -3.0750 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -4.4770 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -4.9430 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 -5.9500 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0570 -3.7300 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4550 -3.6290 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0200 -2.4610 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4910 -2.3540 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1150 -1.1000 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4970 -1.0550 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2130 -2.2390 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6000 -3.4070 0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2870 -3.5020 0.1580 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 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -6.5250 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -8.9670 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -9.9490 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -8.4940 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -7.2280 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5130 -2.9270 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 -1.5670 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5310 -0.1910 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0120 -0.1060 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2930 -2.2060 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8210 -4.4760 0.1400 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 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 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 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 32 52 1 0 0 0 0 M END