IBS-ZINC05304741 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 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 -0.6990 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0780 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7740 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0650 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2450 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -4.8570 1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.9920 -1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7760 -4.5480 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.9780 -1.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4860 -4.1680 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -6.3800 -2.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7470 -6.3310 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -7.1240 -2.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3660 -8.1860 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -6.6220 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -6.8940 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -6.8620 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -6.9930 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -8.0970 -1.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -6.1270 -0.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -4.9500 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -4.0230 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -6.4140 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -7.0170 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -7.2980 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -6.9800 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -6.3800 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -6.0910 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -5.4300 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 -7.2890 2.8190 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 -0.1600 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6180 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5950 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1370 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -7.4750 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -5.7230 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -6.1120 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -7.8710 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -7.6500 -4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -5.8860 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -7.2660 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -7.7680 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 -6.1320 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -6.1940 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 -4.7950 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -4.8230 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -6.4380 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -7.4850 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9570 -8.1670 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -6.4220 -1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 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 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 56 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 56 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 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 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END