IBS-ZINC02226453 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.2140 -0.6620 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 0.0170 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 1.3390 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 2.0670 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 3.4860 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 3.4920 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.2170 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 4.7330 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 5.8390 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 5.7850 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 4.6410 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 4.8060 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 6.1120 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 5.9130 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8900 7.2760 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0470 8.3550 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5560 8.1000 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9610 7.4810 -0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2990 6.2420 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 6.4780 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -2.1680 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.7970 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -2.1760 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.7240 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 6.7070 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 3.9930 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 6.6740 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 6.6640 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 5.3510 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 5.3610 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 7.8380 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 7.8280 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 8.7740 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 9.0560 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0820 9.0470 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 7.4420 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6390 5.8450 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5280 5.5300 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5520 7.1480 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 5.5270 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -2.4950 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.4900 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.8730 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.5980 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -2.2100 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -2.7260 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -0.7020 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.2220 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 7.0850 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END