@MOLECULE 245482 59 63 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1227 1.8197 -2.2571 F 1 noname -0.1601 2 C1 -0.8786 1.2517 -1.1123 C.2 1 noname 0.0513 3 C2 -1.0585 2.0249 0.0871 C.2 1 noname 0.0217 4 C3 -0.4479 -0.1002 -1.1079 C.2 1 noname 0.0438 5 C4 -1.5018 3.3941 0.0843 C.2 1 noname -0.0181 6 C5 -0.7849 1.3985 1.3267 C.2 1 noname 0.0024 7 C6 -0.1883 -0.6867 0.1549 C.2 1 noname 0.0380 8 C7 -2.3947 3.8639 -0.9321 C.2 1 noname 0.0231 9 C8 -1.0819 4.3572 1.0764 C.2 1 noname -0.0131 10 C9 -0.3390 0.0571 1.3757 C.2 1 noname 0.0153 11 N1 0.2075 -1.9974 0.2014 N.2 1 noname -0.2396 12 N2 -2.7875 5.1761 -0.9227 N.2 1 noname -0.2215 13 C10 -1.4988 5.7137 1.0775 C.2 1 noname 0.0092 14 C11 -0.0341 -0.6298 2.5661 C.2 1 noname 0.0300 15 C12 0.4733 -2.6841 1.3461 C.2 1 noname 0.0274 16 C13 -2.3753 6.0877 0.0246 C.2 1 noname 0.0633 17 N3 -0.0263 -0.2768 3.8661 N.3 1 noname -0.1025 18 C14 0.3405 -1.9725 2.5468 C.2 1 noname 0.0326 19 O1 -2.8135 7.3625 -0.0497 O.3 1 noname -0.2416 20 C15 0.3271 -1.3727 4.6027 C.2 1 noname 0.1311 21 C16 -0.3626 1.0383 4.3034 C.3 1 noname 0.0703 22 N4 0.5403 -2.4177 3.7891 N.3 1 noname -0.1057 23 C17 -1.9143 8.1268 -0.8394 C.3 1 noname 0.0563 24 O2 0.4354 -1.3973 5.8478 O.2 1 noname -0.2508 25 C18 0.8463 1.8942 4.6230 C.3 1 noname 0.0655 26 C19 -0.7585 1.2973 5.7435 C.3 1 noname 0.0655 27 C20 0.9032 -3.7257 4.1704 C.3 1 noname 0.0008 28 C21 -2.4110 9.5715 -0.9236 C.3 1 noname -0.0162 29 O3 0.4938 1.9149 5.9961 O.3 1 noname -0.3778 30 C22 -1.4421 10.3951 -1.7744 C.3 1 noname -0.0002 31 N5 -1.9167 11.7756 -1.8549 N.3 1 noname -0.3092 32 C23 -0.9910 12.5626 -2.6679 C.3 1 noname -0.0136 33 C24 -1.9895 12.3450 -0.5103 C.3 1 noname -0.0136 34 H1 -0.3220 -0.6628 -2.0330 H 1 noname 0.0676 35 H2 -0.9191 1.9555 2.2540 H 1 noname 0.0637 36 H3 -2.7789 3.2165 -1.7204 H 1 noname 0.0846 37 H4 -0.4089 4.0407 1.8733 H 1 noname 0.0631 38 H5 -1.1675 6.4218 1.8371 H 1 noname 0.0667 39 H6 0.7718 -3.7316 1.3042 H 1 noname 0.0857 40 H7 -1.0729 1.1620 3.4859 H 1 noname 0.0525 41 H8 -0.9722 8.1251 -0.2913 H 1 noname 0.0573 42 H9 -1.9644 7.6938 -1.8384 H 1 noname 0.0573 43 H10 1.7729 1.3363 4.4879 H 1 noname 0.0584 44 H11 0.7458 2.8941 4.2008 H 1 noname 0.0584 45 H12 -1.5556 2.0380 5.8075 H 1 noname 0.0584 46 H13 -0.8324 0.3671 6.3069 H 1 noname 0.0584 47 H14 0.9224 -3.7950 5.2580 H 1 noname 0.0404 48 H15 0.1763 -4.4346 3.7740 H 1 noname 0.0404 49 H16 1.8915 -3.9588 3.7740 H 1 noname 0.0404 50 H17 -3.3592 9.5475 -1.4606 H 1 noname 0.0303 51 H18 -2.3669 9.9788 0.0865 H 1 noname 0.0303 52 H19 -0.4909 10.4351 -1.2438 H 1 noname 0.0431 53 H20 -1.4831 10.0039 -2.7910 H 1 noname 0.0431 54 H21 -0.3255 13.1283 -2.0159 H 1 noname 0.0394 55 H22 -0.4022 11.8950 -3.2970 H 1 noname 0.0394 56 H23 -1.5550 13.2512 -3.2970 H 1 noname 0.0394 57 H24 -2.0292 11.5400 0.2235 H 1 noname 0.0394 58 H25 -1.1081 12.9598 -0.3279 H 1 noname 0.0394 59 H26 -2.8854 12.9598 -0.4241 H 1 noname 0.0394 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 1 5 3 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 7 10 1 12 8 12 1 13 9 13 2 14 10 14 2 15 11 15 1 16 12 16 2 17 13 16 1 18 14 17 1 19 14 18 1 20 15 18 2 21 16 19 1 22 17 20 1 23 17 21 1 24 18 22 1 25 19 23 1 26 20 24 2 27 20 22 1 28 21 25 1 29 21 26 1 30 22 27 1 31 23 28 1 32 25 29 1 33 26 29 1 34 28 30 1 35 30 31 1 36 31 32 1 37 31 33 1 38 4 34 1 39 6 35 1 40 8 36 1 41 9 37 1 42 13 38 1 43 15 39 1 44 21 40 1 45 23 41 1 46 23 42 1 47 25 43 1 48 25 44 1 49 26 45 1 50 26 46 1 51 27 47 1 52 27 48 1 53 27 49 1 54 28 50 1 55 28 51 1 56 30 52 1 57 30 53 1 58 32 54 1 59 32 55 1 60 32 56 1 61 33 57 1 62 33 58 1 63 33 59 1 @SUBSTRUCTURE 1 noname 1