@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3843 29 31 1 SMALL USER_CHARGES @ATOM 1 O1 -5.4556 1.5566 -2.7685 O.2 1 noname -0.2949 2 C1 -4.3107 1.0716 -2.9034 C.2 1 noname 0.0214 3 N1 -3.9847 0.6687 -4.1413 N.3 1 noname -0.0860 4 C2 -3.4257 0.9626 -1.8044 C.2 1 noname 0.0337 5 C3 -2.1288 0.4187 -1.9284 C.2 1 noname 0.0370 6 C4 -3.8128 1.4077 -0.5164 C.2 1 noname -0.0097 7 N2 -1.5008 -0.0551 -3.0143 N.2 1 noname -0.2188 8 C5 -1.2609 0.3067 -0.8403 C.2 1 noname -0.0347 9 C6 -2.9388 1.3157 0.5845 C.2 1 noname -0.0355 10 C7 -0.2829 -0.4461 -2.6033 C.2 1 noname -0.0236 11 N3 -0.1099 -0.2471 -1.2773 N.3 1 noname -0.0033 12 C8 -1.6529 0.7678 0.4296 C.2 1 noname -0.0232 13 C9 1.0199 -0.5661 -0.5683 C.2 1 noname -0.0233 14 C10 0.9389 -1.1770 0.7036 C.2 1 noname -0.0534 15 C11 2.3018 -0.3140 -1.1072 C.2 1 noname -0.0534 16 C12 2.0998 -1.5119 1.4207 C.2 1 noname -0.0616 17 C13 3.4658 -0.6460 -0.3932 C.2 1 noname -0.0616 18 C14 3.3648 -1.2449 0.8727 C.2 1 noname -0.0838 19 H1 -4.6257 0.7637 -4.8613 H 1 noname 0.1274 20 H2 -3.1108 0.2837 -4.3143 H 1 noname 0.1274 21 H3 -4.7408 1.8107 -0.3713 H 1 noname 0.0631 22 H4 -3.2389 1.6528 1.4995 H 1 noname 0.0623 23 H5 0.4159 -0.8570 -3.2252 H 1 noname 0.1019 24 H6 -1.0199 0.7158 1.2276 H 1 noname 0.0643 25 H7 0.0289 -1.3960 1.1087 H 1 noname 0.0642 26 H8 2.3938 0.1239 -2.0251 H 1 noname 0.0642 27 H9 2.0238 -1.9539 2.3377 H 1 noname 0.0623 28 H10 4.3837 -0.4530 -0.7942 H 1 noname 0.0623 29 H11 4.2077 -1.4889 1.3918 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 19 1 5 3 20 1 6 4 5 2 7 4 6 1 8 5 7 1 9 5 8 1 10 6 9 2 11 6 21 1 12 7 10 2 13 8 11 1 14 8 12 2 15 9 12 1 16 9 22 1 17 10 11 1 18 10 23 1 19 11 13 1 20 12 24 1 21 13 14 2 22 13 15 1 23 14 16 1 24 14 25 1 25 15 17 2 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1