@MOLECULE DB06856 52 55 1 SMALL USER_CHARGES @ATOM 1 F1 -4.1777 2.5299 5.7966 F 1 noname -0.1588 2 C1 -3.1695 2.4579 4.9775 C.2 1 noname 0.0524 3 C2 -2.3795 1.2613 4.9451 C.2 1 noname 0.0323 4 C3 -2.8780 3.5709 4.1345 C.2 1 noname 0.0164 5 C4 -2.6996 0.2299 5.7717 C.2 1 noname -0.0595 6 C5 -1.2640 1.1300 4.0632 C.2 1 noname -0.0032 7 C6 -1.7597 3.4284 3.2517 C.2 1 noname -0.0670 8 N1 -2.0063 -0.8400 5.7539 N.2 1 noname -0.2710 9 N2 -3.7201 0.3357 6.5862 N.3 1 noname -0.1346 10 C7 -0.9943 2.2441 3.2327 C.2 1 noname -0.0263 11 N3 -1.2628 4.2714 2.3367 N.3 1 noname -0.0577 12 C8 -0.0062 2.3921 2.2767 C.2 1 noname -0.0217 13 C9 -0.2110 3.6581 1.7233 C.2 1 noname -0.0862 14 C10 0.5410 4.1885 0.6410 C.2 1 noname 0.0002 15 C11 -0.1308 5.0245 -0.2948 C.2 1 noname 0.0350 16 C12 1.9483 3.9339 0.4770 C.2 1 noname -0.0509 17 O1 -1.4634 5.2228 -0.2084 O.3 1 noname -0.2719 18 C13 0.6299 5.6464 -1.3223 C.2 1 noname 0.0278 19 C14 2.6970 4.4804 -0.6030 C.2 1 noname -0.0600 20 O2 0.0000 6.5961 -2.0573 O.3 1 noname -0.2622 21 C15 2.0123 5.3356 -1.5088 C.2 1 noname -0.0261 22 C16 0.2565 7.9628 -1.6089 C.3 1 noname 0.0670 23 C17 -0.0867 8.3005 -0.0871 C.3 1 noname -0.0173 24 C18 -0.5041 8.8040 -2.6693 C.3 1 noname -0.0259 25 C19 -0.9006 9.5956 0.1840 C.3 1 noname -0.0482 26 C20 1.2048 8.3288 0.7328 C.3 1 noname -0.0600 27 C21 -1.9486 9.2127 -2.2674 C.3 1 noname -0.0508 28 C22 -2.0587 9.8419 -0.8428 C.3 1 noname -0.0528 29 H1 -3.4773 4.4809 4.1634 H 1 noname 0.0673 30 H2 -0.6520 0.2288 4.0261 H 1 noname 0.0638 31 H3 -1.8161 -1.1336 6.7014 H 1 noname 0.1888 32 H4 -4.0234 1.2465 6.9002 H 1 noname 0.1257 33 H5 -4.2037 -0.4936 6.9002 H 1 noname 0.1257 34 H6 -1.6158 5.1981 2.1449 H 1 noname 0.1528 35 H7 0.7660 1.6682 2.0162 H 1 noname 0.0649 36 H8 2.4672 3.3028 1.1984 H 1 noname 0.0630 37 H9 -1.7219 5.2613 0.7153 H 1 noname 0.2183 38 H10 3.7551 4.2526 -0.7316 H 1 noname 0.0623 39 H11 2.5534 5.7577 -2.3557 H 1 noname 0.0651 40 H12 1.3363 8.1118 -1.6191 H 1 noname 0.0611 41 H13 -0.7478 7.5064 0.2599 H 1 noname 0.0326 42 H14 0.0516 9.7377 -2.7561 H 1 noname 0.0293 43 H15 -0.6139 8.1525 -3.5362 H 1 noname 0.0293 44 H16 -1.3825 9.4438 1.1498 H 1 noname 0.0270 45 H17 -0.1987 10.4184 0.0485 H 1 noname 0.0270 46 H18 0.9609 8.3235 1.7952 H 1 noname 0.0234 47 H19 1.8063 7.4518 0.4937 H 1 noname 0.0234 48 H20 1.7673 9.2313 0.4937 H 1 noname 0.0234 49 H21 -2.2372 9.9996 -2.9642 H 1 noname 0.0267 50 H22 -2.5177 8.2839 -2.2281 H 1 noname 0.0267 51 H23 -2.9320 9.3653 -0.3976 H 1 noname 0.0267 52 H24 -2.0538 10.9181 -1.0155 H 1 noname 0.0267 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 10 12 1 13 11 13 1 14 12 13 2 15 13 14 1 16 14 15 2 17 14 16 1 18 15 17 1 19 15 18 1 20 16 19 2 21 18 20 1 22 18 21 2 23 19 21 1 24 22 20 1 25 22 23 1 26 22 24 1 27 23 25 1 28 23 26 1 29 24 27 1 30 25 28 1 31 27 28 1 32 4 29 1 33 6 30 1 34 8 31 1 35 9 32 1 36 9 33 1 37 11 34 1 38 12 35 1 39 16 36 1 40 17 37 1 41 19 38 1 42 21 39 1 43 22 40 1 44 23 41 1 45 24 42 1 46 24 43 1 47 25 44 1 48 25 45 1 49 26 46 1 50 26 47 1 51 26 48 1 52 27 49 1 53 27 50 1 54 28 51 1 55 28 52 1 @SUBSTRUCTURE 1 noname 1