IBS-ZINC02390594 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 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 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.6780 -1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -5.0790 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -4.6940 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -3.8970 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -3.5400 -4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -3.9680 -4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6950 -4.7600 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 -5.1300 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 -5.1780 -3.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 -4.7630 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1980 -5.3170 -4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4980 -6.0830 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7780 -6.6040 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7660 -6.3620 -3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4940 -5.5750 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1930 -5.0400 -5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 -4.2490 -6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9130 -4.0020 -7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1930 -4.5230 -6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4880 -5.3030 -5.8020 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 -1.8340 -5.5960 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -5.6960 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -3.5610 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -2.9230 -5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -3.6850 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -5.7500 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 -3.6740 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -5.1360 -5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7320 -6.2910 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9890 -7.2090 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7530 -6.7730 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 -3.8380 -6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7020 -3.3930 -7.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9600 -4.3120 -7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4840 -5.7010 -5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 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 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 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 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END