IBS-ZINC05055057 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.9400 -1.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -1.6040 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -1.8290 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -2.5000 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -2.9020 -2.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -2.6700 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 -2.0290 -0.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -3.1020 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -3.7810 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1050 -4.1150 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3410 -5.0170 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -4.3070 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -3.9670 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 -2.7480 -4.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -1.3670 -4.1400 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0570 -0.2560 -4.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -2.0980 -4.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -0.6280 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 -4.7010 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -3.1270 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 -4.6330 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3940 -3.1940 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 -5.9540 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9630 -5.2220 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 -4.9620 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 -3.3890 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -3.4480 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -4.8860 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 -2.4530 -5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -3.2160 -4.6610 H 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 25 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 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END