@MOLECULE DB01059 41 43 1 SMALL USER_CHARGES @ATOM 1 F1 2.8394 1.6166 -1.1955 F 1 noname -0.1635 2 C1 2.0036 1.3292 -0.2408 C.2 1 noname 0.0130 3 C2 1.5301 2.3943 0.6068 C.2 1 noname 0.0372 4 C3 1.6000 -0.0060 -0.0787 C.2 1 noname 0.0319 5 N1 2.0080 3.6910 0.3648 N.3 1 noname -0.1137 6 C4 0.5836 2.1084 1.6515 C.2 1 noname -0.0343 7 C5 0.6645 -0.2589 0.9497 C.2 1 noname -0.0304 8 C6 1.1029 4.8030 0.0865 C.3 1 noname 0.0158 9 C7 3.4436 3.9639 0.2660 C.3 1 noname 0.0158 10 C8 0.1236 0.7712 1.8200 C.2 1 noname -0.0055 11 C9 0.2156 -1.5888 1.1053 C.2 1 noname 0.0954 12 C10 1.5839 5.7999 -1.0348 C.3 1 noname 0.0084 13 C11 3.7929 4.4446 -1.1814 C.3 1 noname 0.0084 14 N2 -0.8248 0.3987 2.7477 N.3 1 noname 0.0430 15 O1 0.6893 -2.4849 0.3737 O.2 1 noname -0.2892 16 C12 -0.7598 -1.9269 2.0732 C.2 1 noname 0.1009 17 N3 2.7452 5.2884 -1.8422 N.3 1 noname -0.3141 18 C13 -1.2782 -0.8917 2.8952 C.2 1 noname -0.0030 19 C14 -1.3593 1.3939 3.5915 C.3 1 noname -0.0301 20 C15 -1.1989 -3.2380 2.2155 C.2 1 noname 0.1173 21 C16 -0.5099 1.4975 4.8597 C.3 1 noname -0.0613 22 O2 -2.0612 -3.5184 3.0758 O.2 1 noname -0.2535 23 O3 -0.6940 -4.2085 1.4245 O.3 1 noname -0.2151 24 H1 1.9904 -0.8006 -0.7145 H 1 noname 0.0661 25 H2 0.2185 2.8974 2.3090 H 1 noname 0.0647 26 H3 0.1984 4.3201 -0.2834 H 1 noname 0.0447 27 H4 1.0784 5.3630 1.0213 H 1 noname 0.0447 28 H5 3.6310 4.7935 0.9478 H 1 noname 0.0447 29 H6 3.9352 3.0045 0.4270 H 1 noname 0.0447 30 H7 0.7640 5.8904 -1.7472 H 1 noname 0.0441 31 H8 1.9637 6.6856 -0.5255 H 1 noname 0.0441 32 H9 4.6579 5.1012 -1.0872 H 1 noname 0.0441 33 H10 3.8543 3.5474 -1.7972 H 1 noname 0.0441 34 H11 2.8212 5.5107 -2.8245 H 1 noname 0.1223 35 H12 -2.0369 -1.0909 3.6520 H 1 noname 0.0635 36 H13 -1.2577 2.3270 3.0373 H 1 noname 0.0313 37 H14 -2.3482 1.0324 3.8734 H 1 noname 0.0313 38 H15 -0.2694 0.4968 5.2187 H 1 noname 0.0234 39 H16 0.4119 2.0348 4.6368 H 1 noname 0.0234 40 H17 -1.0670 2.0348 5.6273 H 1 noname 0.0234 41 H18 -0.3296 -4.9090 1.9704 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 5 8 1 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 9 13 1 14 10 14 1 15 11 15 2 16 11 16 1 17 12 17 1 18 13 17 1 19 14 18 1 20 14 19 1 21 16 20 1 22 16 18 2 23 19 21 1 24 20 22 2 25 20 23 1 26 4 24 1 27 6 25 1 28 8 26 1 29 8 27 1 30 9 28 1 31 9 29 1 32 12 30 1 33 12 31 1 34 13 32 1 35 13 33 1 36 17 34 1 37 18 35 1 38 19 36 1 39 19 37 1 40 21 38 1 41 21 39 1 42 21 40 1 43 23 41 1 @SUBSTRUCTURE 1 noname 1