IBS-ZINC05452025 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 1.1780 -1.8720 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.3680 3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -3.6830 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -4.1740 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.8920 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.8730 1.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5200 -0.8940 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -1.7310 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -1.1540 -0.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -1.9510 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.1780 -1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -1.1710 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -1.6700 -4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -1.3910 -4.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 -1.8860 -5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -2.6670 -6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -2.9510 -6.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -2.4500 -5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.7700 -5.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.0830 -4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.2660 -3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.5780 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.7230 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -1.5560 -4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -2.2350 -5.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -2.1430 5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.0910 5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.7470 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -1.1420 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -0.4710 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -3.4340 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -4.3680 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -4.6410 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -4.9010 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -3.0210 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -2.5690 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -1.0580 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -2.7000 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -0.1440 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -0.1080 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -0.7910 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 -1.6660 -4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 -3.0540 -6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -3.5590 -7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.0730 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -0.1880 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -1.6710 -5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -2.8780 -6.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -2.3990 2.5730 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1320 -2.6700 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 49 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END