MMs01724486 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 0.7513 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 3.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 3.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 2.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 5.1932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 3.9773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 4.4394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8141 5.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 6.4044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0285 6.8199 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 6.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6126 7.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4573 8.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9823 6.4775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1967 7.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 8.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2558 9.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6255 9.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7808 7.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5665 6.7465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8399 9.9994 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2026 2.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1549 4.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 3.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6974 2.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4986 1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 6.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 5.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 5.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1066 5.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 9.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1316 10.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8766 7.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END