@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3817 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.3464 4.9443 -3.1207 O.2 1 noname -0.2985 2 C1 1.4113 5.0963 -2.5387 C.2 1 noname 0.0934 3 C2 1.8552 4.1514 -1.6177 C.2 1 noname -0.0195 4 C3 2.1472 6.2963 -2.8526 C.3 1 noname -0.0010 5 C4 1.0352 3.0555 -1.2576 C.2 1 noname -0.0138 6 C5 3.1291 4.2495 -1.0177 C.2 1 noname -0.0430 7 C6 1.4512 2.0826 -0.3216 C.2 1 noname -0.0103 8 C7 3.5700 3.2865 -0.0966 C.2 1 noname -0.0486 9 N1 0.6422 1.0267 0.0173 N.3 1 noname -0.0175 10 C8 2.7380 2.2106 0.2453 C.2 1 noname -0.0349 11 C9 -0.6887 1.0187 0.2463 C.2 1 noname -0.0474 12 C10 1.0501 -0.2522 0.1893 C.2 1 noname -0.0322 13 C11 -1.0547 -0.2941 0.5423 C.2 1 noname 0.0113 14 C12 -1.6567 2.0417 0.2574 C.2 1 noname -0.0304 15 N2 0.0321 -1.0731 0.5034 N.2 1 noname -0.2288 16 C13 -2.3827 -0.6411 0.8334 C.2 1 noname -0.0105 17 C14 -2.9957 1.7098 0.5484 C.2 1 noname -0.0469 18 C15 -3.3567 0.3758 0.8314 C.2 1 noname -0.0439 19 H1 1.5982 6.8973 -3.5796 H 1 noname 0.0313 20 H2 2.2932 6.8893 -1.9486 H 1 noname 0.0313 21 H3 3.1171 6.0374 -3.2796 H 1 noname 0.0313 22 H4 0.1192 2.9586 -1.6956 H 1 noname 0.0650 23 H5 3.7521 5.0245 -1.2486 H 1 noname 0.0630 24 H6 4.4950 3.3706 0.3253 H 1 noname 0.0623 25 H7 3.0700 1.5237 0.9223 H 1 noname 0.0642 26 H8 2.0140 -0.5721 0.0814 H 1 noname 0.1019 27 H9 -1.4018 3.0107 0.0674 H 1 noname 0.0643 28 H10 -2.6348 -1.6060 1.0454 H 1 noname 0.0645 29 H11 -3.7077 2.4408 0.5564 H 1 noname 0.0623 30 H12 -4.3287 0.1479 1.0404 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 19 1 7 4 20 1 8 4 21 1 9 5 7 1 10 5 22 1 11 6 8 2 12 6 23 1 13 7 9 1 14 7 10 2 15 8 10 1 16 8 24 1 17 9 11 1 18 9 12 1 19 10 25 1 20 11 13 2 21 11 14 1 22 12 15 2 23 12 26 1 24 13 16 1 25 13 15 1 26 14 17 2 27 14 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1