MMs01262846 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 1.2959 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 2.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 -0.0252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -0.3433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1723 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1733 2.0715 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6648 1.1031 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5413 -0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0338 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6496 1.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0567 3.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1421 1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7579 2.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0186 0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5111 0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3876 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7718 -2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2793 -2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4028 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9103 -1.1808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 0.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 -1.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0633 -1.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8889 -1.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -0.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 3.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5096 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4606 -0.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8672 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0037 1.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5816 -0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4730 -3.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7866 -3.3417 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 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 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 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 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 28 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 22 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 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 M END