IBS-ZINC02216746 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 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 -4.6440 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -4.7620 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -6.2570 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -6.9930 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -8.3840 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -8.9550 -1.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -8.2260 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -6.9070 -1.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -8.8630 -1.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -10.2410 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -10.9240 -1.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -12.2330 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -12.9120 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -14.3050 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -14.9080 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -14.1610 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -12.8070 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -12.1500 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -10.8210 -1.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -12.0190 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -12.9880 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -6.3120 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -6.9370 -0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -4.8010 -0.7340 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 1.3420 -4.3040 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -4.4650 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -8.9780 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -8.3460 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -14.8940 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -15.9810 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 -14.6650 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 -11.7220 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 -11.1290 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -12.6350 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -13.0640 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -13.9880 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -12.4590 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -4.4070 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -4.5010 -1.7820 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 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END