@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3508 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -3.8346 0.5223 0.1740 O.3 1 noname -0.2767 2 C1 -4.2767 1.8143 0.1401 C.2 1 noname 0.0120 3 C2 -2.6996 0.1153 0.9431 C.3 1 noname 0.0423 4 C3 -3.6777 2.8674 0.8661 C.2 1 noname 0.0145 5 C4 -5.3918 2.0874 -0.6708 C.2 1 noname 0.0009 6 C5 -4.1868 4.1815 0.7831 C.2 1 noname -0.0046 7 C6 -5.9088 3.3895 -0.7638 C.2 1 noname 0.0045 8 C7 -3.6348 5.2806 1.4792 C.2 1 noname 0.0397 9 C8 -5.3119 4.4365 -0.0407 C.2 1 noname 0.0450 10 N1 -4.2049 6.5046 1.3322 N.2 1 noname -0.2343 11 N2 -2.5578 5.1046 2.2953 N.3 1 noname 0.0038 12 N3 -5.8199 5.6876 -0.1377 N.2 1 noname -0.2450 13 C9 -5.2789 6.7237 0.5402 C.2 1 noname 0.0426 14 C10 -1.9178 6.0607 3.0173 C.2 1 noname -0.0315 15 C11 -1.5258 5.7387 4.3314 C.2 1 noname -0.0582 16 C12 -1.5798 7.3267 2.4923 C.2 1 noname -0.0582 17 C13 -0.8329 6.6738 5.1194 C.2 1 noname -0.0630 18 C14 -0.8879 8.2628 3.2794 C.2 1 noname -0.0630 19 C15 -0.5159 7.9378 4.5945 C.2 1 noname -0.0831 20 H1 -2.5467 -0.9546 0.8051 H 1 noname 0.0535 21 H2 -1.8056 0.6454 0.6081 H 1 noname 0.0535 22 H3 -2.8687 0.3133 2.0032 H 1 noname 0.0535 23 H4 -2.8687 2.6704 1.4542 H 1 noname 0.0658 24 H5 -5.8308 1.3324 -1.1988 H 1 noname 0.0650 25 H6 -6.7189 3.5735 -1.3568 H 1 noname 0.0646 26 H7 -2.2368 4.1966 2.4043 H 1 noname 0.1357 27 H8 -5.6770 7.6588 0.4563 H 1 noname 0.1062 28 H9 -1.7489 4.8217 4.7214 H 1 noname 0.0639 29 H10 -1.8319 7.5688 1.5333 H 1 noname 0.0639 30 H11 -0.5579 6.4348 6.0725 H 1 noname 0.0623 31 H12 -0.6509 9.1779 2.8934 H 1 noname 0.0623 32 H13 -0.0119 8.6169 5.1655 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 20 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 5 7 2 11 5 24 1 12 6 8 2 13 6 9 1 14 7 9 1 15 7 25 1 16 8 10 1 17 8 11 1 18 9 12 2 19 10 13 2 20 11 14 1 21 11 26 1 22 12 13 1 23 13 27 1 24 14 15 2 25 14 16 1 26 15 17 1 27 15 28 1 28 16 18 2 29 16 29 1 30 17 19 2 31 17 30 1 32 18 19 1 33 18 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1