MMs00515373 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.4877 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 -1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -2.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9861 -1.9540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3172 -0.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7497 -0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0808 1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5133 1.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6148 0.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2837 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8512 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5201 -2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6216 -3.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 -2.9722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0156 -4.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5831 -4.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -6.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 -7.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7861 -6.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 -5.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5496 -5.0439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 -2.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -1.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4969 0.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 -1.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 -3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6408 0.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 1.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8766 -0.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1996 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7781 3.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7608 1.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1649 -1.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 -4.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -6.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0887 -8.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6672 -7.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5898 -4.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -4.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 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 40 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 M END