@MOLECULE 86287635 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 2.1176 6.1367 -1.5334 F 1 noname -0.2429 2 F2 1.8973 1.9118 1.9710 F 1 noname -0.1603 3 F3 -2.4891 0.9072 0.0547 F 1 noname -0.1603 4 O1 1.0543 -3.6215 5.7227 O.3 1 noname -0.2211 5 O2 -1.1775 -3.4686 5.5620 O.2 1 noname -0.2623 6 N1 1.3312 2.4757 -1.0468 N.3 1 noname -0.2848 7 N2 -2.0119 3.7335 -1.2422 N.3 1 noname -0.0776 8 C1 1.3095 1.2715 -1.9964 C.3 1 noname 0.0120 9 C2 0.0769 2.5482 -0.2220 C.3 1 noname 0.0798 10 C3 -0.1148 0.9354 -2.6036 C.3 1 noname 0.0277 11 C4 -1.0246 2.8126 -1.1915 C.2 1 noname -0.1082 12 C5 -1.1119 1.9785 -2.3011 C.2 1 noname -0.0239 13 C6 1.6104 3.8568 -1.6452 C.3 1 noname 0.0332 14 C7 -2.2867 2.3326 -2.9426 C.2 1 noname -0.0294 15 C8 -0.1856 1.4577 0.7420 C.2 1 noname 0.0564 16 C9 1.6333 5.1359 -0.7213 C.3 1 noname 0.1178 17 C10 2.3670 1.4002 -3.1365 C.3 1 noname -0.0492 18 C11 -2.7999 3.4547 -2.2955 C.2 1 noname -0.0873 19 C12 -2.9666 1.7192 -3.9966 C.2 1 noname -0.0395 20 C13 2.7160 4.8403 0.3729 C.3 1 noname -0.0298 21 C14 0.3055 5.8587 -0.2561 C.3 1 noname -0.0298 22 C15 0.7801 1.2570 1.7909 C.2 1 noname 0.0524 23 C16 -1.4284 0.7457 0.8097 C.2 1 noname 0.0524 24 C17 -3.9864 4.0523 -2.7558 C.2 1 noname -0.0438 25 C18 -4.1955 2.2589 -4.4152 C.2 1 noname -0.0540 26 C19 -4.6982 3.4314 -3.8055 C.2 1 noname -0.0511 27 C20 0.5397 0.3554 2.8078 C.2 1 noname 0.0014 28 C21 -1.6309 -0.2043 1.8045 C.2 1 noname 0.0014 29 C22 -0.6439 -0.4239 2.7820 C.2 1 noname -0.0111 30 C23 -0.8462 -1.4451 3.6699 C.2 1 noname -0.0039 31 C24 0.1392 -2.1705 4.1871 C.2 1 noname 0.0591 32 C25 -0.0461 -3.1170 5.1483 C.2 1 noname 0.0913 33 H1 1.6240 0.4110 -1.3777 H 1 noname 0.0468 34 H2 0.1822 3.3417 0.5051 H 1 noname 0.0585 35 H3 -0.5011 0.0090 -2.1588 H 1 noname 0.0332 36 H4 -0.0771 0.8138 -3.6942 H 1 noname 0.0332 37 H5 0.9540 4.0286 -2.4965 H 1 noname 0.0463 38 H6 2.6140 3.8286 -2.0614 H 1 noname 0.0463 39 H7 2.4106 0.5100 -3.7656 H 1 noname 0.0246 40 H8 2.1050 2.2454 -3.7832 H 1 noname 0.0246 41 H9 3.3509 1.5866 -2.6922 H 1 noname 0.0246 42 H10 -2.1607 4.4599 -0.6202 H 1 noname 0.1525 43 H11 -2.5924 0.8707 -4.4195 H 1 noname 0.0629 44 H12 2.5012 3.9340 0.9253 H 1 noname 0.0263 45 H13 2.7921 5.6478 1.0934 H 1 noname 0.0263 46 H14 3.6995 4.6640 -0.0777 H 1 noname 0.0263 47 H15 -0.2484 5.4006 0.5837 H 1 noname 0.0263 48 H16 -0.3618 5.9774 -1.1098 H 1 noname 0.0263 49 H17 0.5967 6.8464 0.1015 H 1 noname 0.0263 50 H18 -4.3424 4.9112 -2.3305 H 1 noname 0.0642 51 H19 -4.7224 1.7888 -5.1567 H 1 noname 0.0622 52 H20 -5.5904 3.8208 -4.1246 H 1 noname 0.0623 53 H21 1.2423 0.2614 3.5605 H 1 noname 0.0659 54 H22 -2.5112 -0.7452 1.7771 H 1 noname 0.0659 55 H23 -1.8025 -1.6285 3.8993 H 1 noname 0.0631 56 H24 1.0937 -2.0101 3.9212 H 1 noname 0.0686 57 H25 0.9362 -4.2412 6.4593 H 1 noname 0.2216 @BOND 1 1 16 1 2 2 22 1 3 3 23 1 4 4 32 1 5 4 57 1 6 5 32 2 7 6 8 1 8 6 9 1 9 6 13 1 10 7 11 1 11 7 18 1 12 7 42 1 13 8 10 1 14 8 17 1 15 8 33 1 16 9 11 1 17 9 15 1 18 9 34 1 19 10 12 1 20 10 35 1 21 10 36 1 22 11 12 2 23 12 14 1 24 13 16 1 25 13 37 1 26 13 38 1 27 14 18 1 28 14 19 2 29 15 22 2 30 15 23 1 31 16 20 1 32 16 21 1 33 17 39 1 34 17 40 1 35 17 41 1 36 18 24 2 37 19 25 1 38 19 43 1 39 20 44 1 40 20 45 1 41 20 46 1 42 21 47 1 43 21 48 1 44 21 49 1 45 22 27 1 46 23 28 2 47 24 26 1 48 24 50 1 49 25 26 2 50 25 51 1 51 26 52 1 52 27 29 2 53 27 53 1 54 28 29 1 55 28 54 1 56 29 30 1 57 30 31 2 58 30 55 1 59 31 32 1 60 31 56 1 @SUBSTRUCTURE 1 noname 1