IBS-ZINC05157843 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.1810 1.5500 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 0.0570 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -1.9650 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -2.4540 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.5510 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -0.0050 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 -2.5480 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -2.4700 2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -2.1040 3.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -2.8670 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 -3.3220 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8740 -3.5920 2.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6820 -3.9400 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8530 -3.3220 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 -2.8680 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 -2.5260 5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3060 -2.6470 6.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5780 -3.1020 5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 -3.4470 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6320 -3.2590 6.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4060 -2.9260 8.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 1.8760 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 1.8050 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 2.1260 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.4710 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.2020 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -2.3810 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -2.2300 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -2.0950 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -3.5500 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -0.2200 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -0.0920 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 1.0880 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -0.3720 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 -3.6120 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -2.0110 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 -3.4860 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -2.1700 5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0520 -2.3740 7.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8560 -3.8040 4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3370 -3.1060 8.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 -3.5660 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1550 -1.8660 8.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.4480 -0.1310 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7950 -0.0660 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.0210 1.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 44 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 46 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 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 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END