MMs01599673 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 2.9999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1686 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -2.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4054 -1.8697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 -1.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6573 -0.4296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5304 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0233 -1.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7824 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2474 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3937 -2.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 -2.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6875 -2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9917 -2.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6769 -4.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9707 -5.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5927 1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 -1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 2.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 4.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7354 1.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8531 -2.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3020 0.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1448 0.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3634 -6.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0057 -5.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5780 -4.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 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 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END