MMs01688102 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 47 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 0.9155 1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 2.5752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 4.9951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 4.4238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 2.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 1.9562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 2.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 0.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2247 1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6479 3.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1473 3.4725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8251 4.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6508 2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4626 1.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6612 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0482 -0.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2364 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0377 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 3.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6172 4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 5.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 5.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 4.3117 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 0.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 -0.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -0.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 0.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 1.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 3.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5937 3.2248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9156 4.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7106 -1.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2071 -2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3460 -0.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9883 2.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 1.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6465 1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 6.5169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 6.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END