IBS-ZINC05025998 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.3660 -1.1640 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 0.0200 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.6940 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.5760 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -0.2940 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -0.7900 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -1.1020 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -1.2820 -1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -1.2250 -2.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -1.0460 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -1.1660 -3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.5540 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -2.8850 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -3.2060 -5.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1790 -2.2040 -5.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -0.8780 -5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.5500 -4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.8960 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.7470 -2.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.4130 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -0.8050 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -0.4560 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -0.8310 -5.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -2.0390 -5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -1.9540 -6.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -0.7270 -7.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -0.0470 -6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -1.8000 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.7390 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.7940 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 0.5960 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 0.6570 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.7160 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -3.6690 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -4.2420 -5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -2.4580 -6.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 -0.0970 -6.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 1.2230 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 1.5050 -4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 1.0050 -3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -1.1540 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.9570 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 0.6580 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -0.2610 -4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -1.8760 -3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -1.0000 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 0.6160 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -2.8950 -4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -2.7360 -7.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 0.9730 -6.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 28 51 1 0 0 0 0 M END