@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3851 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -5.5559 1.2135 1.2135 O.2 1 noname -0.2583 2 C1 -4.7199 0.2815 1.1625 C.2 1 noname 0.0890 3 O2 -5.1240 -0.9934 1.4326 O.3 1 noname -0.2098 4 C2 -3.3709 0.5415 0.8295 C.2 1 noname 0.0130 5 C3 -6.4941 -1.2564 1.7466 C.3 1 noname 0.0457 6 C4 -2.4319 -0.5164 0.7765 C.2 1 noname 0.0392 7 C5 -2.9329 1.8596 0.5365 C.2 1 noname 0.0040 8 C6 -1.0989 -0.2333 0.4435 C.2 1 noname 0.0292 9 C7 -1.5909 2.1277 0.2026 C.2 1 noname -0.0138 10 N1 -0.0649 -1.0723 0.3206 N.2 1 noname -0.2112 11 C8 -0.6719 1.0637 0.1716 C.2 1 noname -0.0303 12 C9 0.9820 -0.3022 -0.0243 C.2 1 noname -0.0283 13 N2 0.6470 1.0067 -0.1143 N.3 1 noname -0.0148 14 C10 1.5060 2.0278 -0.4333 C.2 1 noname -0.0235 15 C11 1.4549 3.2689 0.2427 C.2 1 noname -0.0546 16 C12 2.4880 1.8548 -1.4353 C.2 1 noname -0.0546 17 C13 2.3439 4.3080 -0.0822 C.2 1 noname -0.0618 18 C14 3.3790 2.8919 -1.7632 C.2 1 noname -0.0618 19 C15 3.3049 4.1200 -1.0872 C.2 1 noname -0.0849 20 H1 -6.6171 -2.3244 1.9266 H 1 noname 0.0536 21 H2 -6.7861 -0.7083 2.6437 H 1 noname 0.0536 22 H3 -7.1341 -0.9603 0.9146 H 1 noname 0.0536 23 H4 -2.7079 -1.4794 0.9726 H 1 noname 0.0654 24 H5 -3.5960 2.6367 0.5606 H 1 noname 0.0631 25 H6 -1.3010 3.0797 -0.0183 H 1 noname 0.0643 26 H7 1.9210 -0.6722 -0.1833 H 1 noname 0.1019 27 H8 0.7769 3.4170 0.9897 H 1 noname 0.0642 28 H9 2.5519 0.9709 -1.9412 H 1 noname 0.0642 29 H10 2.2929 5.1971 0.4158 H 1 noname 0.0623 30 H11 4.0789 2.7520 -2.4932 H 1 noname 0.0623 31 H12 3.9519 4.8731 -1.3232 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 20 1 8 5 21 1 9 5 22 1 10 6 8 1 11 6 23 1 12 7 9 2 13 7 24 1 14 8 10 1 15 8 11 2 16 9 11 1 17 9 25 1 18 10 12 2 19 11 13 1 20 12 13 1 21 12 26 1 22 13 14 1 23 14 15 2 24 14 16 1 25 15 17 1 26 15 27 1 27 16 18 2 28 16 28 1 29 17 19 2 30 17 29 1 31 18 19 1 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1