@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4065 40 43 1 SMALL USER_CHARGES @ATOM 1 O1 3.8195 0.6069 -1.5613 O.2 1 noname -0.2734 2 C1 2.8885 1.1949 -0.9633 C.2 1 noname 0.1066 3 N1 1.9945 0.4680 -0.2023 N.3 1 noname -0.1019 4 C2 2.7625 2.6099 -1.0842 C.2 1 noname 0.0431 5 C3 0.9615 1.0950 0.4587 C.2 1 noname 0.0591 6 C4 2.1165 -0.9558 -0.0782 C.3 1 noname 0.0012 7 C5 3.6664 3.3779 -1.8541 C.2 1 noname -0.0361 8 C6 1.7065 3.2429 -0.4102 C.2 1 noname 0.0151 9 N2 0.0836 0.3831 1.2097 N.2 1 noname -0.2011 10 C7 0.7985 2.4940 0.3647 C.2 1 noname 0.0152 11 C8 5.0323 3.4460 -1.5001 C.2 1 noname -0.0369 12 C9 3.2184 4.0889 -2.9900 C.2 1 noname -0.0369 13 C10 -0.9493 0.9511 1.8787 C.2 1 noname 0.0902 14 C11 -0.2734 3.0730 1.0597 C.2 1 noname 0.0266 15 C12 5.9312 4.2070 -2.2670 C.2 1 noname -0.0545 16 C13 4.1183 4.8499 -3.7549 C.2 1 noname -0.0545 17 N3 -1.1074 2.2931 1.7877 N.2 1 noname -0.2280 18 N4 -1.8433 0.2742 2.6407 N.3 1 noname 0.0325 19 C14 5.4742 4.9090 -3.3949 C.2 1 noname -0.0509 20 C15 -1.9264 -1.0596 2.9177 C.2 1 noname -0.0102 21 C16 -2.9864 -1.4366 3.7657 C.2 1 noname -0.0206 22 C17 -1.0575 -2.0665 2.4388 C.2 1 noname -0.0206 23 C18 -3.1584 -2.7844 4.1158 C.2 1 noname -0.0032 24 C19 -1.2675 -3.4014 2.8168 C.2 1 noname -0.0032 25 N5 -2.3005 -3.7164 3.6348 N.2 1 noname -0.2760 26 H1 2.9674 -1.3537 -0.6322 H 1 noname 0.0404 27 H2 2.2414 -1.2227 0.9717 H 1 noname 0.0404 28 H3 1.2115 -1.4337 -0.4582 H 1 noname 0.0404 29 H4 1.5925 4.2570 -0.4782 H 1 noname 0.0638 30 H5 5.3803 2.9391 -0.6841 H 1 noname 0.0629 31 H6 2.2354 4.0530 -3.2670 H 1 noname 0.0629 32 H7 -0.4334 4.0810 1.0238 H 1 noname 0.0848 33 H8 6.9161 4.2480 -2.0060 H 1 noname 0.0622 34 H9 3.7863 5.3599 -4.5739 H 1 noname 0.0622 35 H10 -2.5233 0.8282 3.0527 H 1 noname 0.1373 36 H11 6.1271 5.4610 -3.9518 H 1 noname 0.0622 37 H12 -3.6324 -0.7356 4.1298 H 1 noname 0.0655 38 H13 -0.2766 -1.8515 1.8229 H 1 noname 0.0655 39 H14 -3.9244 -3.0624 4.7288 H 1 noname 0.0839 40 H15 -0.6445 -4.1344 2.4759 H 1 noname 0.0839 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 2 9 5 10 1 10 6 26 1 11 6 27 1 12 6 28 1 13 7 11 2 14 7 12 1 15 8 10 1 16 8 29 1 17 9 13 1 18 10 14 2 19 11 15 1 20 11 30 1 21 12 16 2 22 12 31 1 23 13 17 2 24 13 18 1 25 14 17 1 26 14 32 1 27 15 19 2 28 15 33 1 29 16 19 1 30 16 34 1 31 18 20 1 32 18 35 1 33 19 36 1 34 20 21 2 35 20 22 1 36 21 23 1 37 21 37 1 38 22 24 2 39 22 38 1 40 23 25 2 41 23 39 1 42 24 25 1 43 24 40 1 @SUBSTRUCTURE 1 noname 1