@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441568 39 43 1 SMALL USER_CHARGES @ATOM 1 N1 13.0409 -7.2881 1.2121 N.2 1 noname -0.2330 2 C1 13.1388 -6.1291 0.5261 C.2 1 noname 0.0814 3 C2 12.3539 -8.3450 0.7171 C.2 1 noname 0.0206 4 N2 12.5398 -6.0191 -0.6787 N.2 1 noname -0.2330 5 N3 13.8207 -5.1002 1.0362 N.3 1 noname -0.0806 6 C3 11.7099 -8.2780 -0.5387 C.2 1 noname -0.0121 7 C4 11.8428 -7.0470 -1.2166 C.2 1 noname 0.0206 8 C5 10.9779 -9.3769 -1.0816 C.2 1 noname -0.0342 9 C6 10.8639 -9.5728 -2.4835 C.2 1 noname 0.0107 10 C7 10.3289 -10.3188 -0.2416 C.2 1 noname -0.0126 11 N4 10.1569 -10.6127 -3.0004 N.2 1 noname -0.2500 12 C8 9.6209 -11.3947 -0.8036 C.2 1 noname -0.0015 13 C9 9.5449 -11.5016 -2.1874 C.2 1 noname 0.0661 14 C10 8.8879 -12.4526 -0.2546 C.2 1 noname -0.0149 15 N5 8.7969 -12.5655 -2.5004 N.3 1 noname -0.0429 16 C11 8.6739 -12.7915 1.1073 C.2 1 noname -0.0311 17 C12 8.3849 -13.1475 -1.3614 C.2 1 noname -0.1064 18 C13 9.6718 -12.5535 2.0873 C.2 1 noname -0.0232 19 C14 7.4549 -13.4015 1.5093 C.2 1 noname -0.0327 20 C15 9.4187 -12.9085 3.4203 C.2 1 noname -0.0315 21 C16 7.2138 -13.7544 2.8533 C.2 1 noname -0.0386 22 C17 8.2158 -13.4964 3.7983 C.2 1 noname -0.0856 23 C18 10.1937 -12.7944 4.5652 C.2 1 noname -0.0386 24 N6 8.2467 -13.7313 5.1192 N.3 1 noname -0.0771 25 C19 9.4306 -13.3164 5.6072 C.2 1 noname -0.1116 26 H1 12.3209 -9.2000 1.2721 H 1 noname 0.0847 27 H2 14.2477 -5.1861 1.9022 H 1 noname 0.1273 28 H3 13.8867 -4.2702 0.5392 H 1 noname 0.1273 29 H4 11.4008 -6.9049 -2.1255 H 1 noname 0.0847 30 H5 11.3198 -8.9338 -3.1344 H 1 noname 0.0846 31 H6 10.3519 -10.2078 0.7712 H 1 noname 0.0637 32 H7 8.5858 -12.8624 -3.3983 H 1 noname 0.1537 33 H8 7.8019 -13.9844 -1.3194 H 1 noname 0.0796 34 H9 10.5747 -12.1485 1.8383 H 1 noname 0.0636 35 H10 6.7209 -13.5854 0.8234 H 1 noname 0.0629 36 H11 6.3328 -14.1873 3.1303 H 1 noname 0.0642 37 H12 11.1346 -12.4054 4.6332 H 1 noname 0.0642 38 H13 7.5337 -14.1352 5.6362 H 1 noname 0.1522 39 H14 9.7226 -13.3763 6.5822 H 1 noname 0.0789 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 26 1 7 4 7 2 8 5 27 1 9 5 28 1 10 6 8 1 11 6 7 1 12 7 29 1 13 8 9 2 14 8 10 1 15 9 11 1 16 9 30 1 17 10 12 2 18 10 31 1 19 11 13 2 20 12 14 1 21 12 13 1 22 13 15 1 23 14 16 1 24 14 17 2 25 15 17 1 26 15 32 1 27 16 18 2 28 16 19 1 29 17 33 1 30 18 20 1 31 18 34 1 32 19 21 2 33 19 35 1 34 20 22 2 35 20 23 1 36 21 22 1 37 21 36 1 38 22 24 1 39 23 25 2 40 23 37 1 41 24 25 1 42 24 38 1 43 25 39 1 @SUBSTRUCTURE 1 noname 1