@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441367 38 42 1 SMALL USER_CHARGES @ATOM 1 S1 5.9059 -3.8758 4.5816 S.3 1 noname -0.1869 2 C1 4.4479 -3.7267 3.6566 C.2 1 noname 0.0878 3 C2 5.6259 -2.2527 5.1036 C.2 1 noname 0.0467 4 N1 3.8318 -2.5357 3.7687 N.2 1 noname -0.2034 5 C3 3.9778 -4.7887 2.8657 C.2 1 noname -0.0078 6 C4 4.4709 -1.6787 4.5807 C.2 1 noname 0.0519 7 C5 2.8498 -4.8566 2.0487 C.2 1 noname -0.0040 8 C6 4.5918 -6.0366 2.7547 C.2 1 noname -0.0684 9 C7 4.0218 -0.3676 4.8577 C.2 1 noname -0.0058 10 C8 2.8218 -6.1346 1.4858 C.2 1 noname -0.0776 11 C9 1.8488 -3.9166 1.7447 C.2 1 noname 0.0197 12 N2 3.8857 -6.8305 1.9258 N.3 1 noname -0.0403 13 C10 2.8347 0.2473 4.4528 C.2 1 noname -0.0013 14 C11 4.6897 0.6053 5.6107 C.2 1 noname -0.0845 15 C12 1.7927 -6.5175 0.6079 C.2 1 noname -0.0245 16 C13 0.8118 -4.2885 0.8648 C.2 1 noname 0.0324 17 C14 4.2126 -8.1715 1.5799 C.3 1 noname -0.0642 18 C15 2.8337 1.5443 4.9628 C.2 1 noname 0.0621 19 C16 1.7387 -0.1916 3.6918 C.2 1 noname -0.0277 20 N3 3.9617 1.7344 5.6558 N.3 1 noname -0.0258 21 C17 0.7847 -5.5825 0.3009 C.2 1 noname 0.0049 22 F1 -0.1252 -3.4325 0.5709 F 1 noname -0.1647 23 N4 1.8047 2.3953 4.7368 N.2 1 noname -0.2546 24 C18 0.6737 0.7004 3.4608 C.2 1 noname -0.0544 25 C19 0.7306 2.0024 3.9989 C.2 1 noname -0.0052 26 H1 6.2558 -1.7707 5.7457 H 1 noname 0.0763 27 H2 5.4507 -6.3135 3.2328 H 1 noname 0.0799 28 H3 1.8707 -2.9825 2.1478 H 1 noname 0.0660 29 H4 5.5987 0.4863 6.0598 H 1 noname 0.0796 30 H5 1.7757 -7.4525 0.2009 H 1 noname 0.0643 31 H6 5.1316 -8.4894 2.0749 H 1 noname 0.0436 32 H7 3.4026 -8.8355 1.8849 H 1 noname 0.0436 33 H8 4.3516 -8.2474 0.5009 H 1 noname 0.0436 34 H9 1.7067 -1.1355 3.3138 H 1 noname 0.0630 35 H10 4.2106 2.5524 6.1139 H 1 noname 0.1537 36 H11 0.0306 -5.8464 -0.3339 H 1 noname 0.0653 37 H12 -0.1332 0.4054 2.9099 H 1 noname 0.0639 38 H13 -0.0373 2.6535 3.8369 H 1 noname 0.0839 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 26 1 7 4 6 1 8 5 7 1 9 5 8 2 10 6 9 1 11 7 10 2 12 7 11 1 13 8 12 1 14 8 27 1 15 9 13 1 16 9 14 2 17 10 15 1 18 10 12 1 19 11 16 2 20 11 28 1 21 12 17 1 22 13 18 2 23 13 19 1 24 14 20 1 25 14 29 1 26 15 21 2 27 15 30 1 28 16 22 1 29 16 21 1 30 17 31 1 31 17 32 1 32 17 33 1 33 18 23 1 34 18 20 1 35 19 24 2 36 19 34 1 37 20 35 1 38 21 36 1 39 23 25 2 40 24 25 1 41 24 37 1 42 25 38 1 @SUBSTRUCTURE 1 noname 1