@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3830 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 5.4007 5.0516 -1.3917 O.2 1 noname -0.2993 2 C1 4.1717 5.1677 -1.6047 C.2 1 noname 0.0866 3 C2 3.2718 4.1478 -1.2007 C.2 1 noname -0.0440 4 C3 3.7307 6.3976 -2.2796 C.3 1 noname -0.0010 5 C4 1.8858 4.2518 -1.4336 C.2 1 noname -0.0179 6 C5 3.7427 2.9869 -0.5527 C.2 1 noname -0.0179 7 C6 1.0048 3.2379 -1.0236 C.2 1 noname -0.0409 8 C7 2.8557 1.9770 -0.1456 C.2 1 noname -0.0409 9 C8 1.4567 2.0781 -0.3506 C.2 1 noname -0.0027 10 N1 0.5988 1.0681 0.0663 N.3 1 noname -0.0175 11 C9 -0.7451 1.0742 0.2734 C.2 1 noname -0.0474 12 C10 0.9807 -0.2036 0.3514 C.2 1 noname -0.0322 13 C11 -1.1231 -0.2196 0.6404 C.2 1 noname 0.0113 14 C12 -1.7281 2.0882 0.2474 C.2 1 noname -0.0304 15 N2 -0.0452 -1.0025 0.6854 N.2 1 noname -0.2288 16 C13 -2.4531 -0.5625 0.9274 C.2 1 noname -0.0105 17 C14 -3.0701 1.7642 0.5304 C.2 1 noname -0.0469 18 C15 -3.4320 0.4444 0.8615 C.2 1 noname -0.0439 19 H1 4.5906 7.0356 -2.4905 H 1 noname 0.0313 20 H2 3.2407 6.1477 -3.2215 H 1 noname 0.0313 21 H3 3.0367 6.9427 -1.6396 H 1 noname 0.0313 22 H4 1.5008 5.0648 -1.9175 H 1 noname 0.0630 23 H5 4.7406 2.8689 -0.3686 H 1 noname 0.0630 24 H6 0.0268 3.3430 -1.2735 H 1 noname 0.0642 25 H7 3.2496 1.1680 0.3323 H 1 noname 0.0642 26 H8 1.9376 -0.5526 0.2884 H 1 noname 0.1019 27 H9 -1.4912 3.0572 0.0555 H 1 noname 0.0643 28 H10 -2.7011 -1.5174 1.1874 H 1 noname 0.0645 29 H11 -3.7831 2.4942 0.5075 H 1 noname 0.0623 30 H12 -4.4060 0.2204 1.0685 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 19 1 7 4 20 1 8 4 21 1 9 5 7 1 10 5 22 1 11 6 8 2 12 6 23 1 13 7 9 2 14 7 24 1 15 8 9 1 16 8 25 1 17 9 10 1 18 10 11 1 19 10 12 1 20 11 13 2 21 11 14 1 22 12 15 2 23 12 26 1 24 13 16 1 25 13 15 1 26 14 17 2 27 14 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1