@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3863 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -5.1211 2.6016 0.8666 O.2 1 noname -0.2584 2 C1 -3.9241 2.8386 0.5777 C.2 1 noname 0.0885 3 O2 -3.5502 4.1156 0.2767 O.3 1 noname -0.2098 4 C2 -2.9682 1.7967 0.5587 C.2 1 noname 0.0078 5 C3 -4.5222 5.1636 0.2807 C.3 1 noname 0.0457 6 C4 -1.6183 2.0757 0.2327 C.2 1 noname 0.0159 7 C5 -3.3392 0.4627 0.8647 C.2 1 noname 0.0030 8 C6 -0.6763 1.0288 0.2058 C.2 1 noname -0.0279 9 C7 -2.3903 -0.5781 0.8528 C.2 1 noname 0.0041 10 N1 0.6485 1.0048 -0.0590 N.3 1 noname 0.0118 11 C8 -1.0644 -0.2691 0.5238 C.2 1 noname 0.0240 12 C9 1.4734 2.0368 -0.4290 C.2 1 noname -0.0232 13 C10 1.0304 -0.2820 0.1149 C.2 1 noname -0.0253 14 N2 0.0005 -1.0750 0.4649 N.2 1 noname -0.2257 15 C11 2.7783 2.1409 0.1049 C.2 1 noname -0.0524 16 C12 1.0574 3.0088 -1.3669 C.2 1 noname -0.0524 17 C13 3.6333 3.1909 -0.2709 C.2 1 noname -0.0615 18 C14 1.9093 4.0609 -1.7459 C.2 1 noname -0.0615 19 C15 3.1982 4.1529 -1.1959 C.2 1 noname -0.0829 20 H1 -4.0332 6.1017 0.0188 H 1 noname 0.0536 21 H2 -5.3052 4.9537 -0.4491 H 1 noname 0.0536 22 H3 -4.9662 5.2607 1.2728 H 1 noname 0.0536 23 H4 -1.3223 3.0297 0.0248 H 1 noname 0.0651 24 H5 -4.3072 0.2398 1.1038 H 1 noname 0.0631 25 H6 -2.6613 -1.5350 1.0818 H 1 noname 0.0646 26 H7 1.9834 -0.6270 -0.0150 H 1 noname 0.1019 27 H8 3.1093 1.4539 0.7829 H 1 noname 0.0642 28 H9 0.1324 2.9479 -1.7929 H 1 noname 0.0642 29 H10 4.5702 3.2549 0.1280 H 1 noname 0.0623 30 H11 1.5933 4.7549 -2.4238 H 1 noname 0.0623 31 H12 3.8172 4.9149 -1.4708 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 20 1 8 5 21 1 9 5 22 1 10 6 8 1 11 6 23 1 12 7 9 2 13 7 24 1 14 8 10 1 15 8 11 2 16 9 11 1 17 9 25 1 18 10 12 1 19 10 13 1 20 11 14 1 21 12 15 2 22 12 16 1 23 13 14 2 24 13 26 1 25 15 17 1 26 15 27 1 27 16 18 2 28 16 28 1 29 17 19 2 30 17 29 1 31 18 19 1 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1