MMs01132179 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 1.4240 0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -1.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9683 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9237 1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3953 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1867 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9335 0.5136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8342 -1.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3342 -1.3574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7897 0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5712 0.9466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5628 2.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2596 3.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2512 4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2136 0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5173 2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9412 2.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0616 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7579 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3340 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0303 -1.9231 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 1.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -0.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -1.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 -1.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 -1.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7457 2.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9669 3.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2237 2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2870 5.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2086 5.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6210 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1841 3.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2007 1.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6542 -0.7806 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 3 4 2 0 0 0 0 3 5 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 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 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 1 0 0 0 0 M END