@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3845 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 -1.5624 -0.0867 -3.0395 N.2 1 noname -0.2312 2 C1 -2.1894 0.3912 -1.9575 C.2 1 noname 0.0076 3 C2 -0.3314 -0.4297 -2.6195 C.2 1 noname -0.0601 4 C3 -3.4954 0.8973 -1.8375 C.2 1 noname 0.0166 5 C4 -1.3224 0.3363 -0.8675 C.2 1 noname -0.0510 6 N2 -0.1575 -0.1936 -1.2985 N.3 1 noname -0.0339 7 N3 -4.3184 0.9383 -2.8974 N.3 1 noname -0.1409 8 C5 -3.9175 1.3643 -0.5764 C.2 1 noname -0.0411 9 C6 -1.7355 0.8183 0.3904 C.2 1 noname -0.0517 10 C7 0.9854 -0.4586 -0.5875 C.2 1 noname -0.0236 11 C8 -3.0415 1.3273 0.5285 C.2 1 noname -0.0464 12 C9 2.2563 -0.2005 -1.1494 C.2 1 noname -0.0554 13 C10 0.9304 -1.0205 0.7084 C.2 1 noname -0.0554 14 C11 3.4343 -0.4795 -0.4354 C.2 1 noname -0.0619 15 C12 2.1053 -1.3004 1.4265 C.2 1 noname -0.0619 16 C13 3.3582 -1.0284 0.8545 C.2 1 noname -0.0856 17 H1 0.3764 -0.8356 -3.2334 H 1 noname 0.1019 18 H2 -4.0075 0.6174 -3.7583 H 1 noname 0.1243 19 H3 -5.2184 1.2873 -2.8043 H 1 noname 0.1243 20 H4 -4.8605 1.7363 -0.4594 H 1 noname 0.0639 21 H5 -1.1045 0.8074 1.1904 H 1 noname 0.0643 22 H6 -3.3556 1.6764 1.4355 H 1 noname 0.0623 23 H7 2.3293 0.2034 -2.0834 H 1 noname 0.0642 24 H8 0.0293 -1.2444 1.1325 H 1 noname 0.0642 25 H9 4.3432 -0.2824 -0.8543 H 1 noname 0.0623 26 H10 2.0483 -1.7064 2.3605 H 1 noname 0.0623 27 H11 4.2132 -1.2324 1.3736 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 8 1 9 5 9 2 10 5 6 1 11 6 10 1 12 7 18 1 13 7 19 1 14 8 11 2 15 8 20 1 16 9 11 1 17 9 21 1 18 10 12 2 19 10 13 1 20 11 22 1 21 12 14 1 22 12 23 1 23 13 15 2 24 13 24 1 25 14 16 2 26 14 25 1 27 15 16 1 28 15 26 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1