IBS-ZINC05084945 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -4.5150 8.4090 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 7.0070 -2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 6.0830 -2.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 4.5810 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 4.9930 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 5.2560 -2.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 6.5510 -2.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 3.4500 -3.4770 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 2.4270 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 1.8000 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 1.8640 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 3.0510 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 3.0590 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.8840 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 0.6960 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 0.6870 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 2.0310 -0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 0.8550 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 1.2100 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 1.4950 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 2.1170 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 0.9120 -2.0940 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4410 8.5660 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 9.0830 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 8.6830 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 1.1290 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 3.9780 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 3.9920 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.2440 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -0.2500 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 0.1180 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 0.4260 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 1.7500 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 3.1360 -2.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 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 8 9 1 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 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 3 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 2 0 0 0 0 M CHG 1 22 -1 M END