@MOLECULE 245495 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 1.5039 1.1602 -5.8302 F 1 noname -0.1250 2 C1 2.4553 0.5789 -5.1596 C.2 1 noname 0.0924 3 N1 3.7419 0.6072 -5.6298 N.2 1 noname -0.1766 4 C2 2.1583 -0.0926 -3.9269 C.2 1 noname 0.0283 5 C3 4.7959 0.0151 -4.9735 C.2 1 noname 0.0645 6 C4 0.7933 -0.1350 -3.4132 C.2 1 noname -0.0299 7 C5 3.2914 -0.7045 -3.2603 C.2 1 noname -0.0086 8 O1 6.0304 0.0942 -5.5140 O.3 1 noname -0.2408 9 C6 4.6259 -0.6764 -3.7458 C.2 1 noname 0.0007 10 C7 0.5314 -0.8122 -2.1934 C.2 1 noname -0.0044 11 C8 -0.3321 0.4826 -4.0760 C.2 1 noname -0.0208 12 C9 6.2423 -1.0152 -6.3747 C.3 1 noname 0.0563 13 C10 -0.7742 -0.8668 -1.6534 C.2 1 noname 0.0158 14 C11 -1.6601 0.4486 -3.5779 C.2 1 noname -0.0061 15 C12 7.6415 -0.9256 -6.9873 C.3 1 noname -0.0162 16 C13 -1.8537 -0.2346 -2.3539 C.2 1 noname 0.0475 17 C14 -1.0994 -1.4723 -0.4198 C.2 1 noname 0.0301 18 C15 7.8697 -2.1209 -7.9145 C.3 1 noname -0.0002 19 N2 -3.1118 -0.2637 -1.8161 N.2 1 noname -0.2391 20 N3 -0.3631 -2.1284 0.4970 N.3 1 noname -0.1035 21 C16 -2.3994 -1.4496 0.0838 C.2 1 noname 0.0324 22 N4 9.2067 -2.0353 -8.4999 N.3 1 noname -0.3092 23 C17 -3.4434 -0.8406 -0.6231 C.2 1 noname 0.0275 24 C18 -1.1846 -2.4903 1.5199 C.2 1 noname 0.1307 25 C19 1.0157 -2.4342 0.3267 C.3 1 noname 0.0470 26 N5 -2.4353 -2.0631 1.2733 N.3 1 noname -0.1055 27 C20 9.4248 -3.1775 -9.3860 C.3 1 noname -0.0136 28 C21 9.3251 -0.7952 -9.2652 C.3 1 noname -0.0136 29 O2 -0.8295 -3.1250 2.5366 O.2 1 noname -0.2509 30 C22 1.9155 -2.3542 1.5948 C.3 1 noname 0.0632 31 C23 1.0778 -3.7825 -0.4463 C.3 1 noname -0.0322 32 C24 -3.5627 -2.2285 2.1037 C.3 1 noname 0.0008 33 O3 2.8820 -3.4313 1.5264 O.3 1 noname -0.3796 34 C25 1.1239 -4.9728 0.5347 C.3 1 noname -0.0280 35 C26 2.3734 -4.8014 1.4458 C.3 1 noname 0.0468 36 H1 3.1268 -1.2278 -2.3184 H 1 noname 0.0632 37 H2 5.4545 -1.1484 -3.2177 H 1 noname 0.0667 38 H3 1.3483 -1.2995 -1.6612 H 1 noname 0.0636 39 H4 -0.1682 1.0101 -5.0157 H 1 noname 0.0629 40 H5 6.2117 -1.8935 -5.7298 H 1 noname 0.0573 41 H6 5.5142 -0.9033 -7.1780 H 1 noname 0.0573 42 H7 -2.4871 0.9219 -4.1072 H 1 noname 0.0645 43 H8 7.6539 -0.0341 -7.6143 H 1 noname 0.0303 44 H9 8.3514 -1.0243 -6.1661 H 1 noname 0.0303 45 H10 7.8689 -3.0200 -7.2983 H 1 noname 0.0431 46 H11 7.1714 -2.0298 -8.7465 H 1 noname 0.0431 47 H12 -4.4708 -0.8167 -0.2599 H 1 noname 0.0857 48 H13 1.3814 -1.5896 -0.2572 H 1 noname 0.0500 49 H14 9.5959 -4.0732 -8.7888 H 1 noname 0.0394 50 H15 8.5465 -3.3225 -10.0149 H 1 noname 0.0394 51 H16 10.2948 -2.9886 -10.0149 H 1 noname 0.0394 52 H17 9.4056 0.0485 -8.5798 H 1 noname 0.0394 53 H18 10.2149 -0.8394 -9.8932 H 1 noname 0.0394 54 H19 8.4430 -0.6703 -9.8932 H 1 noname 0.0394 55 H20 2.4935 -1.4313 1.5460 H 1 noname 0.0583 56 H21 1.2964 -2.5640 2.4670 H 1 noname 0.0583 57 H22 0.1397 -3.8720 -0.9941 H 1 noname 0.0284 58 H23 2.0259 -3.7907 -0.9841 H 1 noname 0.0284 59 H24 -3.2544 -2.1832 3.1482 H 1 noname 0.0404 60 H25 -4.2819 -1.4345 1.9025 H 1 noname 0.0404 61 H26 -4.0235 -3.1956 1.9025 H 1 noname 0.0404 62 H27 0.2451 -4.8911 1.1742 H 1 noname 0.0290 63 H28 1.2816 -5.8706 -0.0630 H 1 noname 0.0290 64 H29 3.1825 -5.3660 0.9825 H 1 noname 0.0566 65 H30 2.0579 -5.0356 2.4625 H 1 noname 0.0566 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 9 1 12 8 12 1 13 10 13 1 14 11 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 14 16 1 19 15 18 1 20 16 19 2 21 17 20 1 22 17 21 1 23 18 22 1 24 19 23 1 25 20 24 1 26 25 20 1 27 21 26 1 28 21 23 2 29 22 27 1 30 22 28 1 31 24 29 2 32 24 26 1 33 25 30 1 34 25 31 1 35 26 32 1 36 30 33 1 37 31 34 1 38 33 35 1 39 34 35 1 40 7 36 1 41 9 37 1 42 10 38 1 43 11 39 1 44 12 40 1 45 12 41 1 46 14 42 1 47 15 43 1 48 15 44 1 49 18 45 1 50 18 46 1 51 23 47 1 52 25 48 1 53 27 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 28 54 1 59 30 55 1 60 30 56 1 61 31 57 1 62 31 58 1 63 32 59 1 64 32 60 1 65 32 61 1 66 34 62 1 67 34 63 1 68 35 64 1 69 35 65 1 @SUBSTRUCTURE 1 noname 1