MMs01236813 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 52 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 1.3245 -0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 2.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -0.2310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4735 1.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 2.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 3.6365 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9726 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6766 2.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7677 -0.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0618 -1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5609 -1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2649 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4698 1.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9707 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7640 0.0038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.7114 1.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8166 -1.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2631 0.0564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9670 1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4661 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2612 0.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5572 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0582 -1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 2.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 3.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 -1.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2045 -1.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4987 -2.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1970 -2.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0330 2.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3347 2.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8257 1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1338 2.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2164 2.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5787 1.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6986 -1.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3904 -2.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9456 -1.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3078 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M END