IBS-ZINC05165018 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 0.2630 0.4120 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.5600 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -2.2750 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -2.9290 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -1.9230 0.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -0.8150 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -0.1610 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -2.4950 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -2.4740 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 -3.0610 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 -3.6200 0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 -3.6220 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 -3.0680 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0900 -4.2130 -1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4200 -4.8260 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -5.4020 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 -6.0430 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4080 -6.5810 -3.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6900 -7.2060 -3.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 -3.0640 3.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -1.8420 3.3510 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2880 -0.6610 3.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -2.5020 4.1430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2550 0.8620 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.1270 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 1.1940 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.3420 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.0210 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.8920 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -3.0130 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -3.3360 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -3.7320 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -1.1980 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -0.0770 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.6430 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 0.2470 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 -4.2220 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 -5.6250 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1650 -4.0720 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7050 -4.6030 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 -6.1560 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1440 -6.8420 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8640 -5.2890 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7470 -8.0290 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4670 -6.4760 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8320 -7.5880 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -2.6540 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -3.4740 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -1.1670 -0.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END