IBS-ZINC02087551 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 0.1460 1.0940 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -0.2490 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0680 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.7550 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -0.1050 -1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -1.9290 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -2.3410 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -1.4000 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -1.8030 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -3.1600 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -4.1120 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -3.7070 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -4.7100 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -4.3530 0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -3.5860 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 -4.9430 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6630 -5.3470 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6850 -4.4060 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3780 -3.0390 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -2.6340 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 -2.0370 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6100 -2.3830 0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0110 -4.8170 0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4050 -5.9670 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5880 -6.6860 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8600 -6.3590 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0350 -7.6960 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3370 -6.4960 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.4600 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.9650 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.8140 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -0.9690 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -1.0250 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 0.2970 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 0.6520 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -2.4880 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -0.3490 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -1.0670 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -5.1610 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -5.6800 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8990 -6.3980 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -1.5850 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6520 -4.2760 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4480 -5.5930 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4470 -8.4620 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0870 -7.9800 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6950 -7.5990 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2120 -5.5440 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3890 -6.7800 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7490 -7.2620 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -6.0240 0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -0.7350 0.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9120 -0.1150 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -6.6440 0.2160 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 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 51 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M END