@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3304 29 31 1 SMALL USER_CHARGES @ATOM 1 N1 3.2019 1.2972 0.6916 N.2 1 noname -0.2177 2 C1 2.1118 2.1082 0.6587 C.2 1 noname 0.0583 3 C2 3.1098 -0.0507 0.6317 C.2 1 noname 0.0594 4 N2 2.2528 3.4593 0.7227 N.3 1 noname 0.0073 5 C3 0.8317 1.5262 0.5587 C.2 1 noname 0.0028 6 N3 1.8908 -0.6267 0.5357 N.2 1 noname -0.2357 7 C4 3.4398 4.0963 0.8258 C.2 1 noname -0.0315 8 C5 0.7577 0.1142 0.4977 C.2 1 noname 0.0249 9 C6 -0.3723 2.2573 0.5167 C.2 1 noname 0.0256 10 C7 4.1178 4.5214 -0.3331 C.2 1 noname -0.0581 11 C8 3.9908 4.3654 2.0938 C.2 1 noname -0.0581 12 C9 -0.4863 -0.5296 0.3998 C.2 1 noname 0.0085 13 N4 -1.5564 1.6033 0.4228 N.2 1 noname -0.2577 14 C10 5.3438 5.2015 -0.2251 C.2 1 noname -0.0630 15 C11 5.2168 5.0464 2.2009 C.2 1 noname -0.0630 16 C12 -1.6504 0.2523 0.3638 C.2 1 noname 0.0377 17 C13 5.8927 5.4645 1.0419 C.2 1 noname -0.0830 18 N5 -2.8585 -0.3175 0.2739 N.3 1 noname -0.1172 19 H1 3.9518 -0.6257 0.6588 H 1 noname 0.1062 20 H2 1.4527 4.0054 0.6918 H 1 noname 0.1357 21 H3 -0.3673 3.2774 0.5568 H 1 noname 0.0848 22 H4 3.7217 4.3334 -1.2551 H 1 noname 0.0639 23 H5 3.5027 4.0654 2.9379 H 1 noname 0.0639 24 H6 -0.5424 -1.5486 0.3568 H 1 noname 0.0679 25 H7 5.8337 5.5045 -1.0671 H 1 noname 0.0623 26 H8 5.6147 5.2375 3.1210 H 1 noname 0.0623 27 H9 6.7817 5.9596 1.1199 H 1 noname 0.0622 28 H10 -2.9415 -1.2825 0.2309 H 1 noname 0.1257 29 H11 -3.6525 0.2384 0.2509 H 1 noname 0.1257 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 19 1 7 4 7 1 8 4 20 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 2 13 7 11 1 14 8 12 2 15 9 13 1 16 9 21 1 17 10 14 1 18 10 22 1 19 11 15 2 20 11 23 1 21 12 16 1 22 12 24 1 23 13 16 2 24 14 17 2 25 14 25 1 26 15 17 1 27 15 26 1 28 16 18 1 29 17 27 1 30 18 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1