MMs02589949 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 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 -0.0128 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1832 1.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4758 2.3051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 1.5662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1463 2.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4457 3.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1594 1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6498 1.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5418 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0417 0.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7388 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5174 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8928 -1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0623 -3.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8563 -4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4808 -3.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3114 -2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0904 -1.3852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4205 -0.2236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9507 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -0.9373 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -0.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6423 -0.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -1.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 3.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6413 3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4656 3.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1286 2.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8576 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1626 -3.9321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9919 -5.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5161 -4.4605 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END