@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444926 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 11.7187 -1.3942 -3.7500 F 1 noname -0.1661 2 C1 10.9886 -0.6291 -2.8689 C.3 1 noname 0.4161 3 F2 9.6635 -0.9241 -3.0869 F 1 noname -0.1661 4 F3 11.2026 0.6849 -3.2079 F 1 noname -0.1661 5 C2 11.3346 -0.8501 -1.4388 C.2 1 noname -0.0059 6 C3 12.3396 -1.7591 -1.0337 C.2 1 noname -0.0132 7 C4 10.6465 -0.1280 -0.4407 C.2 1 noname -0.0261 8 C5 12.6706 -1.9580 0.3293 C.2 1 noname -0.0313 9 C6 10.9535 -0.3060 0.9163 C.2 1 noname -0.0480 10 C7 13.6926 -2.8770 0.7153 C.2 1 noname -0.0302 11 C8 11.9555 -1.2109 1.2953 C.2 1 noname -0.0452 12 C9 14.5495 -2.6010 1.8094 C.2 1 noname -0.0084 13 C10 13.8825 -4.0920 0.0173 C.2 1 noname -0.0314 14 C11 15.5725 -3.4940 2.2045 C.2 1 noname 0.0535 15 C12 14.8845 -4.9980 0.3954 C.2 1 noname -0.0034 16 C13 15.7225 -4.7050 1.4815 C.2 1 noname 0.0472 17 C14 16.4545 -3.2509 3.2906 C.2 1 noname 0.0330 18 N1 16.6795 -5.5940 1.8375 N.2 1 noname -0.1885 19 C15 16.4105 -2.1028 4.0546 C.2 1 noname 0.0909 20 C16 17.4305 -4.2149 3.6197 C.2 1 noname 0.0570 21 C17 17.5375 -5.4029 2.8716 C.2 1 noname 0.0562 22 O1 16.4025 -0.9957 3.5407 O.2 1 noname -0.2586 23 O2 16.4444 -2.1678 5.3738 O.3 1 noname -0.2183 24 C18 18.5015 -6.3889 3.1607 C.2 1 noname 0.0433 25 O3 19.3645 -6.2069 4.0507 O.2 1 noname -0.2847 26 N2 18.4824 -7.5539 2.4727 N.3 1 noname -0.0593 27 C19 19.4024 -8.6259 2.6717 C.3 1 noname 0.1045 28 C20 20.0134 -8.9459 1.4057 C.2 1 noname 0.1484 29 C21 18.6604 -9.8640 3.2248 C.3 1 noname -0.0022 30 O4 21.2294 -8.8828 1.2908 O.2 1 noname -0.2478 31 O5 19.2363 -9.3099 0.3857 O.3 1 noname -0.2044 32 C22 18.0443 -9.6129 4.5449 C.2 1 noname -0.0449 33 C23 19.8263 -9.6118 -0.8792 C.3 1 noname 0.0454 34 C24 18.8543 -9.3259 5.6629 C.2 1 noname -0.0277 35 C25 16.6442 -9.6519 4.7049 C.2 1 noname -0.0684 36 C26 18.2742 -9.0738 6.9190 C.2 1 noname -0.0008 37 C27 16.0621 -9.4028 5.9600 C.2 1 noname -0.0512 38 O6 19.0542 -8.7938 7.9861 O.3 1 noname -0.2859 39 C28 16.8781 -9.1128 7.0671 C.2 1 noname -0.0325 40 H1 12.8495 -2.2761 -1.7517 H 1 noname 0.0635 41 H2 9.9164 0.5340 -0.7047 H 1 noname 0.0628 42 H3 10.4464 0.2220 1.6273 H 1 noname 0.0622 43 H4 12.1524 -1.3289 2.2904 H 1 noname 0.0629 44 H5 14.4295 -1.7249 2.3205 H 1 noname 0.0636 45 H6 13.2805 -4.3360 -0.7705 H 1 noname 0.0629 46 H7 14.9995 -5.8720 -0.1195 H 1 noname 0.0645 47 H8 18.0675 -4.0468 4.4017 H 1 noname 0.0655 48 H9 16.4364 -1.2907 5.8098 H 1 noname 0.2216 49 H10 17.7904 -7.6669 1.8017 H 1 noname 0.1323 50 H11 20.1924 -8.3459 3.3728 H 1 noname 0.0581 51 H12 19.3694 -10.6879 3.3238 H 1 noname 0.0337 52 H13 17.8953 -10.1639 2.5038 H 1 noname 0.0337 53 H14 20.5263 -10.4418 -0.7761 H 1 noname 0.0536 54 H15 20.3533 -8.7367 -1.2621 H 1 noname 0.0536 55 H16 19.0413 -9.8918 -1.5812 H 1 noname 0.0536 56 H17 19.8693 -9.2949 5.5610 H 1 noname 0.0652 57 H18 16.0431 -9.8589 3.9059 H 1 noname 0.0625 58 H19 15.0480 -9.4318 6.0670 H 1 noname 0.0623 59 H20 20.0152 -8.7738 7.7951 H 1 noname 0.2181 60 H21 16.4550 -8.9308 7.9772 H 1 noname 0.0650 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 40 1 9 7 9 2 10 7 41 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 42 1 15 10 12 2 16 10 13 1 17 11 43 1 18 12 14 1 19 12 44 1 20 13 15 2 21 13 45 1 22 14 16 1 23 14 17 2 24 15 16 1 25 15 46 1 26 16 18 2 27 17 19 1 28 17 20 1 29 18 21 1 30 19 22 2 31 19 23 1 32 20 21 2 33 20 47 1 34 21 24 1 35 23 48 1 36 24 25 2 37 24 26 1 38 26 27 1 39 26 49 1 40 27 28 1 41 27 29 1 42 27 50 1 43 28 30 2 44 28 31 1 45 29 32 1 46 29 51 1 47 29 52 1 48 31 33 1 49 32 34 2 50 32 35 1 51 33 53 1 52 33 54 1 53 33 55 1 54 34 36 1 55 34 56 1 56 35 37 2 57 35 57 1 58 36 38 1 59 36 39 2 60 37 39 1 61 37 58 1 62 38 59 1 63 39 60 1 @SUBSTRUCTURE 1 noname 1