@MOLECULE 76961290 42 45 1 SMALL USER_CHARGES @ATOM 1 F1 -2.5363 -0.9858 3.0391 F 1 noname -0.1634 2 O1 0.9264 2.4383 2.6335 O.2 1 noname -0.2892 3 O2 3.6986 3.6069 -0.0049 O.3 1 noname -0.2151 4 O3 2.2152 4.3703 1.5081 O.2 1 noname -0.2535 5 N1 0.8498 0.6667 -0.9909 N.3 1 noname 0.0442 6 N2 -2.7644 -2.2870 0.6422 N.3 1 noname -0.1137 7 N3 -5.4660 -2.7686 1.3576 N.3 1 noname -0.3141 8 C1 0.8517 0.0439 -2.2559 C.3 1 noname -0.0155 9 C2 1.9104 -1.0605 -2.2791 C.3 1 noname -0.0458 10 C3 2.1970 0.2881 -2.9426 C.3 1 noname -0.0458 11 C4 0.0242 0.1574 -0.0105 C.2 1 noname -0.0053 12 C5 1.6721 1.7530 -0.7951 C.2 1 noname -0.0020 13 C6 0.0376 0.7928 1.2915 C.2 1 noname -0.0300 14 C7 -0.8810 -0.9188 -0.2306 C.2 1 noname -0.0340 15 C8 1.7138 2.3956 0.4684 C.2 1 noname 0.1011 16 C9 0.8933 1.8958 1.5079 C.2 1 noname 0.0955 17 C10 -1.7828 -1.2958 0.8296 C.2 1 noname 0.0373 18 C11 -0.7994 0.4159 2.3646 C.2 1 noname 0.0320 19 C12 -1.7158 -0.6222 2.0972 C.2 1 noname 0.0132 20 C13 -3.7265 -2.2382 -0.4627 C.3 1 noname 0.0158 21 C14 -2.9747 -3.3462 1.6232 C.3 1 noname 0.0158 22 C15 2.5418 3.4916 0.6813 C.2 1 noname 0.1173 23 C16 -5.2089 -2.6307 -0.1110 C.3 1 noname 0.0084 24 C17 -4.3771 -3.1959 2.2977 C.3 1 noname 0.0084 25 H1 0.0390 -0.6291 -2.5293 H 1 noname 0.0352 26 H2 2.0762 0.1949 -4.0219 H 1 noname 0.0273 27 H3 2.9072 0.9418 -2.4363 H 1 noname 0.0273 28 H4 1.6534 -1.7941 -3.0432 H 1 noname 0.0273 29 H5 2.4267 -1.2724 -1.3428 H 1 noname 0.0273 30 H6 2.2526 2.0965 -1.5602 H 1 noname 0.0635 31 H7 -0.8916 -1.4143 -1.1221 H 1 noname 0.0647 32 H8 -0.7444 0.8670 3.2777 H 1 noname 0.0661 33 H9 -2.9109 -4.3161 1.1300 H 1 noname 0.0447 34 H10 -2.2217 -3.3010 2.4099 H 1 noname 0.0447 35 H11 -3.7107 -1.2464 -0.9146 H 1 noname 0.0447 36 H12 -3.3915 -2.9178 -1.2462 H 1 noname 0.0447 37 H13 -4.6550 -4.1372 2.7718 H 1 noname 0.0441 38 H14 -4.3265 -2.4312 3.0728 H 1 noname 0.0441 39 H15 -5.8902 -1.8908 -0.5312 H 1 noname 0.0441 40 H16 -5.3739 -3.6175 -0.5435 H 1 noname 0.0441 41 H17 -6.2921 -3.3519 1.5055 H 1 noname 0.1223 42 H18 4.0577 4.4944 -0.2144 H 1 noname 0.2216 @BOND 1 1 19 1 2 2 16 2 3 3 22 1 4 3 42 1 5 4 22 2 6 5 8 1 7 5 11 1 8 5 12 1 9 6 17 1 10 6 20 1 11 6 21 1 12 7 23 1 13 7 24 1 14 7 41 1 15 8 9 1 16 8 10 1 17 8 25 1 18 9 10 1 19 9 28 1 20 9 29 1 21 10 26 1 22 10 27 1 23 11 13 1 24 11 14 2 25 12 15 2 26 12 30 1 27 13 16 1 28 13 18 2 29 14 17 1 30 14 31 1 31 15 16 1 32 15 22 1 33 17 19 2 34 18 19 1 35 18 32 1 36 20 23 1 37 20 35 1 38 20 36 1 39 21 24 1 40 21 33 1 41 21 34 1 42 23 39 1 43 23 40 1 44 24 37 1 45 24 38 1 @SUBSTRUCTURE 1 noname 1