@MOLECULE 68742912 47 50 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1269 14.3131 -4.5675 F 1 noname -0.1652 2 O1 -0.9831 1.8470 -1.9490 O.3 1 noname -0.2720 3 N1 -0.2921 4.6441 -1.8355 N.3 1 noname -0.3100 4 N2 0.5891 6.8282 -5.1766 N.2 1 noname -0.2483 5 C1 -0.2589 2.4536 -0.8378 C.3 1 noname 0.0770 6 C2 -0.4422 1.6691 0.4916 C.3 1 noname -0.0208 7 C3 -1.8834 1.1294 0.7268 C.3 1 noname 0.0183 8 C4 -0.6198 3.9358 -0.6282 C.3 1 noname 0.0225 9 C5 -2.8104 1.2252 -0.4269 C.2 1 noname -0.0274 10 C6 -2.3241 1.5834 -1.7382 C.2 1 noname -0.0065 11 C7 -4.2019 1.0261 -0.1997 C.2 1 noname -0.0567 12 C8 -0.6254 6.0609 -1.6948 C.3 1 noname 0.0222 13 C9 -3.2173 1.7107 -2.8381 C.2 1 noname -0.0326 14 C10 -5.0950 1.1886 -1.2993 C.2 1 noname -0.0741 15 C11 -0.2835 6.7905 -2.9331 C.2 1 noname -0.0103 16 C12 -4.6084 1.5188 -2.5985 C.2 1 noname -0.0610 17 C13 -0.5271 8.1943 -3.0180 C.2 1 noname -0.0220 18 C14 -0.2117 8.9321 -4.1935 C.2 1 noname -0.0042 19 C15 0.2948 6.1045 -4.0621 C.2 1 noname 0.0032 20 C16 -0.4442 10.2992 -4.2885 C.2 1 noname -0.0419 21 C17 0.3593 8.1836 -5.2726 C.2 1 noname 0.0080 22 C18 -0.1204 10.9798 -5.4565 C.2 1 noname -0.0269 23 C19 -1.0005 10.9858 -3.2156 C.2 1 noname -0.0269 24 C20 -0.3529 12.3469 -5.5515 C.2 1 noname -0.0033 25 C21 -1.2330 12.3530 -3.3106 C.2 1 noname -0.0033 26 C22 -0.9092 13.0335 -4.4786 C.2 1 noname 0.0272 27 H1 0.8089 2.4365 -1.0857 H 1 noname 0.0622 28 H2 -0.1497 2.3014 1.3299 H 1 noname 0.0297 29 H3 0.1992 0.7912 0.4140 H 1 noname 0.0297 30 H4 -2.3231 1.6312 1.5887 H 1 noname 0.0318 31 H5 -1.8508 0.0958 1.0711 H 1 noname 0.0318 32 H6 -1.6885 4.0254 -0.4331 H 1 noname 0.0455 33 H7 -0.0761 4.3694 0.2111 H 1 noname 0.0455 34 H8 0.7071 4.5466 -2.0271 H 1 noname 0.1226 35 H9 -4.5506 0.7741 0.7251 H 1 noname 0.0626 36 H10 -1.6917 6.1651 -1.4944 H 1 noname 0.0479 37 H11 -0.1212 6.5282 -0.8490 H 1 noname 0.0479 38 H12 -2.8716 1.9330 -3.7716 H 1 noname 0.0650 39 H13 -6.0973 1.0669 -1.1545 H 1 noname 0.0622 40 H14 -5.2681 1.6192 -3.3699 H 1 noname 0.0623 41 H15 -0.9359 8.6791 -2.2191 H 1 noname 0.0633 42 H16 0.4786 5.1018 -4.0263 H 1 noname 0.0842 43 H17 0.6027 8.6675 -6.1369 H 1 noname 0.0845 44 H18 0.2878 10.4759 -6.2438 H 1 noname 0.0630 45 H19 -1.2381 10.4865 -2.3585 H 1 noname 0.0630 46 H20 -0.1154 12.8462 -6.4086 H 1 noname 0.0653 47 H21 -1.6412 12.8568 -2.5233 H 1 noname 0.0653 @BOND 1 1 26 1 2 2 5 1 3 2 10 1 4 3 8 1 5 3 12 1 6 3 34 1 7 4 19 2 8 4 21 1 9 5 6 1 10 5 8 1 11 5 27 1 12 6 7 1 13 6 28 1 14 6 29 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 32 1 19 8 33 1 20 9 10 1 21 9 11 2 22 10 13 2 23 11 14 1 24 11 35 1 25 12 15 1 26 12 36 1 27 12 37 1 28 13 16 1 29 13 38 1 30 14 16 2 31 14 39 1 32 15 17 2 33 15 19 1 34 16 40 1 35 17 18 1 36 17 41 1 37 18 20 1 38 18 21 2 39 19 42 1 40 20 22 2 41 20 23 1 42 21 43 1 43 22 24 1 44 22 44 1 45 23 25 2 46 23 45 1 47 24 26 2 48 24 46 1 49 25 26 1 50 25 47 1 @SUBSTRUCTURE 1 noname 1