IBS-ZINC05452361 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 1.8540 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 2.2960 -3.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 2.3410 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 1.8660 -1.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0210 0.6090 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -0.3230 -2.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -0.2970 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -1.3150 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -2.5010 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -3.2900 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -2.9050 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -1.7410 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -0.9260 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 0.2550 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 2.7060 -3.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 2.6670 -4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 1.4540 -5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 1.0540 -6.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -0.1210 -6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -0.3680 -6.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.5920 -5.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.6980 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -2.8050 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -4.2130 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -3.5330 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -1.4510 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 2.6970 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 2.6480 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 3.4340 -5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 3.0540 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 1.5360 -6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -0.7070 -7.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.1960 -7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 0.6900 -3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.4250 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 1.8640 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END