@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442828 43 45 1 SMALL USER_CHARGES @ATOM 1 F1 9.2288 -3.5625 -0.1735 F 1 noname -0.1507 2 C1 10.0497 -2.6535 0.2814 C.2 1 noname 0.0766 3 C2 11.3717 -2.9784 0.6605 C.2 1 noname 0.0471 4 C3 9.6007 -1.3265 0.3925 C.2 1 noname 0.0549 5 N1 11.7366 -4.2884 0.5225 N.3 1 noname -0.1249 6 C4 12.2056 -1.9434 1.1425 C.2 1 noname 0.0118 7 N2 10.4366 -0.3685 0.8595 N.2 1 noname -0.2431 8 C5 12.9236 -4.9053 0.7905 C.2 1 noname 0.0868 9 C6 11.7106 -0.6334 1.2335 C.2 1 noname -0.0013 10 O1 13.9045 -4.2763 1.2516 O.2 1 noname -0.2773 11 C7 13.0595 -6.2943 0.5486 C.2 1 noname -0.0051 12 C8 14.0355 -7.0542 1.2296 C.2 1 noname 0.0035 13 C9 12.2335 -6.9552 -0.3833 C.2 1 noname -0.0090 14 C10 14.1974 -8.4381 0.9966 C.2 1 noname -0.0156 15 C11 12.3724 -8.3312 -0.6173 C.2 1 noname -0.0322 16 C12 15.2104 -9.1241 1.7127 C.2 1 noname -0.0213 17 C13 13.3444 -9.0891 0.0657 C.2 1 noname -0.0128 18 C14 15.1693 -9.1910 3.1227 C.2 1 noname 0.0082 19 C15 16.2843 -9.7380 1.0347 C.2 1 noname -0.0211 20 C16 13.4094 -10.5440 -0.2071 C.3 1 noname 0.0185 21 C17 16.1673 -9.8700 3.8588 C.2 1 noname 0.0013 22 C18 17.2842 -10.4160 1.7498 C.2 1 noname -0.0381 23 N3 13.1033 -11.3170 0.9988 N.3 1 noname -0.3264 24 C19 16.1162 -9.9359 5.2408 C.2 1 noname 0.0840 25 C20 17.2232 -10.4829 3.1508 C.2 1 noname -0.0042 26 O2 15.2142 -9.4169 5.8818 O.2 1 noname -0.2598 27 O3 17.0431 -10.5688 5.9398 O.3 1 noname -0.2191 28 H1 8.6476 -1.0794 0.1215 H 1 noname 0.0871 29 H2 11.0416 -4.8693 0.1796 H 1 noname 0.1375 30 H3 13.1655 -2.1224 1.4286 H 1 noname 0.0656 31 H4 12.3085 0.1176 1.5796 H 1 noname 0.0839 32 H5 14.6454 -6.5852 1.9056 H 1 noname 0.0637 33 H6 11.5205 -6.4402 -0.9033 H 1 noname 0.0630 34 H7 11.7534 -8.7831 -1.2902 H 1 noname 0.0626 35 H8 14.3973 -8.7450 3.6238 H 1 noname 0.0637 36 H9 16.3483 -9.6900 0.0168 H 1 noname 0.0629 37 H10 12.6873 -10.8310 -0.9751 H 1 noname 0.0476 38 H11 14.4003 -10.8139 -0.5701 H 1 noname 0.0476 39 H12 18.0562 -10.8579 1.2518 H 1 noname 0.0623 40 H13 13.1963 -12.3039 0.7498 H 1 noname 0.1187 41 H14 13.8373 -11.1159 1.6798 H 1 noname 0.1187 42 H15 17.9591 -10.9809 3.6539 H 1 noname 0.0631 43 H16 16.8891 -10.5428 6.9069 H 1 noname 0.2216 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 28 1 8 5 8 1 9 5 29 1 10 6 9 2 11 6 30 1 12 7 9 1 13 8 10 2 14 8 11 1 15 9 31 1 16 11 12 2 17 11 13 1 18 12 14 1 19 12 32 1 20 13 15 2 21 13 33 1 22 14 16 1 23 14 17 2 24 15 17 1 25 15 34 1 26 16 18 2 27 16 19 1 28 17 20 1 29 18 21 1 30 18 35 1 31 19 22 2 32 19 36 1 33 20 23 1 34 20 37 1 35 20 38 1 36 21 24 1 37 21 25 2 38 22 25 1 39 22 39 1 40 23 40 1 41 23 41 1 42 24 26 2 43 24 27 1 44 25 42 1 45 27 43 1 @SUBSTRUCTURE 1 noname 1