@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3939 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -4.0884 0.7819 0.2606 O.3 1 noname -0.2644 2 C1 -2.7384 0.9920 0.3296 C.2 1 noname 0.0496 3 C2 -4.6845 -0.5079 0.1196 C.3 1 noname 0.0424 4 C3 -1.7495 -0.0219 0.2526 C.2 1 noname 0.0779 5 C4 -2.3405 2.3381 0.4856 C.2 1 noname -0.0011 6 O2 -2.0515 -1.3298 0.0897 O.3 1 noname -0.2627 7 C5 -0.3985 0.3511 0.3447 C.2 1 noname 0.0404 8 C6 -0.9805 2.6931 0.5737 C.2 1 noname -0.0273 9 N1 0.6913 -0.4228 0.2827 N.2 1 noname -0.2332 10 C7 -0.0096 1.6771 0.5157 C.2 1 noname -0.0479 11 C8 1.7343 0.4161 0.4128 C.2 1 noname -0.0483 12 N2 1.3403 1.7021 0.5658 N.3 1 noname -0.0266 13 C9 2.1782 2.7752 0.7388 C.2 1 noname -0.0236 14 C10 1.8762 3.8022 1.6619 C.2 1 noname -0.0551 15 C11 3.3872 2.8682 0.0109 C.2 1 noname -0.0551 16 C12 2.7431 4.8933 1.8409 C.2 1 noname -0.0619 17 C13 4.2571 3.9573 0.1879 C.2 1 noname -0.0619 18 C14 3.9341 4.9723 1.1020 C.2 1 noname -0.0853 19 H1 -5.7685 -0.3939 0.1016 H 1 noname 0.0535 20 H2 -4.3645 -0.9728 -0.8132 H 1 noname 0.0535 21 H3 -4.4135 -1.1448 0.9627 H 1 noname 0.0535 22 H4 -3.0505 3.0691 0.5327 H 1 noname 0.0651 23 H5 -1.2656 -1.9148 0.0457 H 1 noname 0.2183 24 H6 -0.7136 3.6721 0.6727 H 1 noname 0.0644 25 H7 2.7072 0.1052 0.4108 H 1 noname 0.1019 26 H8 1.0262 3.7523 2.2239 H 1 noname 0.0642 27 H9 3.6351 2.1433 -0.6630 H 1 noname 0.0642 28 H10 2.5101 5.6263 2.5120 H 1 noname 0.0623 29 H11 5.1241 4.0113 -0.3489 H 1 noname 0.0623 30 H12 4.5651 5.7644 1.2320 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 19 1 6 3 20 1 7 3 21 1 8 4 6 1 9 4 7 1 10 5 8 2 11 5 22 1 12 6 23 1 13 7 9 1 14 7 10 2 15 8 10 1 16 8 24 1 17 9 11 2 18 10 12 1 19 11 12 1 20 11 25 1 21 12 13 1 22 13 14 2 23 13 15 1 24 14 16 1 25 14 26 1 26 15 17 2 27 15 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