IBS-ZINC04870528 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.7420 0.9520 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 0.6530 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 2.8770 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 3.4320 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 4.9090 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 5.4410 3.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 5.4440 4.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2760 6.0220 4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 6.0890 5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 6.4240 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 6.0090 2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 6.1610 1.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 6.9640 4.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 6.3040 6.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 6.7770 7.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 6.0180 7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 6.4970 7.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 6.2260 8.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 5.4780 9.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 4.9990 9.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 5.2690 8.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 5.2140 10.0340 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 4.0310 5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 3.0700 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 1.7730 5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 1.4340 5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 2.3970 6.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 3.6970 5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 2.0670 6.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 0.7090 7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.1000 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.0590 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 1.5220 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 0.6930 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.3810 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 1.0490 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 3.4330 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 2.9770 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 3.3310 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 2.8750 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 5.0100 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 5.4660 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 6.8950 8.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 7.0790 6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 6.5960 7.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 4.4170 10.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 4.9000 8.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 3.3320 4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 1.0240 4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 0.4210 6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 4.4470 5.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 0.5810 7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 0.4590 8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 0.0510 6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 1.4580 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 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 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END