@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3829 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0412 0.5205 N.2 1 noname -0.2288 2 C1 -1.0529 -0.2183 0.5765 C.2 1 noname 0.0113 3 C2 1.0429 -0.2643 0.1776 C.2 1 noname -0.0322 4 C3 -0.6420 1.0756 0.2606 C.2 1 noname -0.0474 5 C4 -2.3869 -0.5082 0.9016 C.2 1 noname -0.0105 6 N2 0.6828 1.0286 0.0026 N.3 1 noname -0.0175 7 C5 -1.5670 2.1376 0.2857 C.2 1 noname -0.0304 8 C6 -3.3188 0.5477 0.9126 C.2 1 noname -0.0439 9 C7 1.5267 2.0466 -0.3632 C.2 1 noname -0.0557 10 C8 -2.9109 1.8637 0.6097 C.2 1 noname -0.0469 11 C9 2.8336 2.1256 0.1697 C.2 1 noname -0.0563 12 C10 1.1277 3.0305 -1.2961 C.2 1 noname -0.0563 13 C11 3.7075 3.1596 -0.2041 C.2 1 noname -0.0688 14 C12 1.9986 4.0675 -1.6730 C.2 1 noname -0.0688 15 C13 3.2915 4.1335 -1.1260 C.2 1 noname -0.0592 16 N3 4.1254 5.1215 -1.4870 N.3 1 noname -0.1604 17 H1 1.9907 -0.6232 0.0516 H 1 noname 0.1019 18 H2 -2.6739 -1.4611 1.1276 H 1 noname 0.0645 19 H3 -1.2771 3.0935 0.0817 H 1 noname 0.0643 20 H4 -4.2938 0.3607 1.1476 H 1 noname 0.0623 21 H5 -3.5919 2.6227 0.6277 H 1 noname 0.0623 22 H6 3.1516 1.4297 0.8457 H 1 noname 0.0643 23 H7 0.2017 2.9886 -1.7211 H 1 noname 0.0643 24 H8 4.6454 3.1996 0.1978 H 1 noname 0.0639 25 H9 1.6896 4.7675 -2.3480 H 1 noname 0.0639 26 H10 3.8374 5.7915 -2.1269 H 1 noname 0.1242 27 H11 5.0173 5.1666 -1.1089 H 1 noname 0.1242 @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 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 10 1 15 8 20 1 16 9 11 2 17 9 12 1 18 10 21 1 19 11 13 1 20 11 22 1 21 12 14 2 22 12 23 1 23 13 15 2 24 13 24 1 25 14 15 1 26 14 25 1 27 15 16 1 28 16 26 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1