@MOLECULE 117587623 67 71 1 SMALL USER_CHARGES @ATOM 1 F1 1.3696 -2.0610 -1.6112 F 1 noname -0.2392 2 F2 -1.8265 -2.6115 1.4155 F 1 noname -0.2016 3 F3 -3.4726 -2.9786 -0.1616 F 1 noname -0.2016 4 O1 3.8617 -4.7950 -1.7853 O.3 1 noname -0.3327 5 O2 2.5349 -6.5247 -2.6768 O.3 1 noname -0.3436 6 O3 1.5728 -1.9771 1.9999 O.3 1 noname -0.3896 7 O4 5.5810 -5.3307 0.3555 O.2 1 noname -0.2767 8 O5 4.1205 -8.5353 -0.2024 O.3 1 noname -0.2023 9 O6 -3.3513 0.6462 -2.8736 O.2 1 noname -0.3026 10 O7 3.6172 -10.7233 -0.3814 O.2 1 noname -0.2548 11 C1 2.5341 -4.5544 0.2753 C.3 1 noname 0.0124 12 C2 1.2081 -4.5643 -0.5744 C.3 1 noname -0.0238 13 C3 0.1448 -3.5514 -0.0764 C.3 1 noname 0.0063 14 C4 3.3956 -5.5483 -0.6267 C.3 1 noname 0.1637 15 C5 0.7354 -2.0884 -0.3669 C.3 1 noname 0.1523 16 C6 2.3169 -6.5140 -1.2599 C.3 1 noname 0.0982 17 C7 0.8963 -6.0291 -0.8640 C.3 1 noname -0.0194 18 C8 3.0677 -3.0919 0.4416 C.3 1 noname -0.0148 19 C9 1.9784 -1.9702 0.6277 C.3 1 noname 0.0902 20 C10 -0.3903 -0.9091 -0.4699 C.3 1 noname 0.0500 21 C11 -1.2988 -3.7972 -0.5748 C.3 1 noname 0.0216 22 C12 2.3901 -5.0670 1.7538 C.3 1 noname -0.0559 23 C13 -2.1526 -2.7043 0.0871 C.3 1 noname 0.2708 24 C14 4.6708 -6.1118 -0.0077 C.2 1 noname 0.1770 25 C15 3.5838 -5.5719 -2.9473 C.3 1 noname 0.1645 26 C16 -1.7884 -1.4763 -0.5859 C.2 1 noname 0.0180 27 C17 -0.3568 0.0559 0.7533 C.3 1 noname -0.0489 28 C18 -0.1512 0.0403 -1.6014 C.2 1 noname -0.0374 29 C19 5.0206 -7.5410 0.2134 C.3 1 noname 0.1180 30 C20 3.1518 -4.6477 -4.0874 C.3 1 noname -0.0107 31 C21 4.8487 -6.3652 -3.2816 C.3 1 noname -0.0107 32 C22 -2.7414 -0.9443 -1.3874 C.2 1 noname 0.0449 33 C23 -1.1241 0.5028 -2.4118 C.2 1 noname 0.0179 34 C24 -2.4314 0.0996 -2.2298 C.2 1 noname 0.0693 35 C25 4.4184 -9.8381 -0.0112 C.2 1 noname 0.1405 36 C26 5.6764 -10.2131 0.6278 C.3 1 noname 0.0220 37 H1 1.3645 -4.2784 -1.6173 H 1 noname 0.0314 38 H2 0.0578 -3.7259 1.0010 H 1 noname 0.0342 39 H3 2.2821 -7.5346 -0.8829 H 1 noname 0.0640 40 H4 0.5871 -6.5237 0.0568 H 1 noname 0.0297 41 H5 0.1393 -6.1830 -1.6329 H 1 noname 0.0297 42 H6 3.7730 -3.0546 1.2719 H 1 noname 0.0301 43 H7 3.5658 -2.8575 -0.4991 H 1 noname 0.0301 44 H8 2.4954 -1.0215 0.4758 H 1 noname 0.0634 45 H9 -1.6376 -4.7769 -0.2379 H 1 noname 0.0335 46 H10 -1.3890 -3.7093 -1.6575 H 1 noname 0.0335 47 H11 3.3590 -5.0194 2.2509 H 1 noname 0.0237 48 H12 1.6765 -4.4396 2.2880 H 1 noname 0.0237 49 H13 2.0348 -6.0974 1.7481 H 1 noname 0.0237 50 H14 -1.1246 0.8203 0.6342 H 1 noname 0.0244 51 H15 0.6224 0.5309 0.8146 H 1 noname 0.0244 52 H16 -0.5445 -0.5085 1.6667 H 1 noname 0.0244 53 H17 0.7702 0.3482 -1.8012 H 1 noname 0.0587 54 H18 2.3632 -1.9031 2.5745 H 1 noname 0.2105 55 H19 5.2730 -7.6951 1.2625 H 1 noname 0.0657 56 H20 5.9903 -7.7214 -0.2504 H 1 noname 0.0657 57 H21 2.9393 -5.2419 -4.9762 H 1 noname 0.0285 58 H22 2.2557 -4.1016 -3.7927 H 1 noname 0.0285 59 H23 3.9526 -3.9411 -4.3057 H 1 noname 0.0285 60 H24 4.6723 -6.9734 -4.1687 H 1 noname 0.0285 61 H25 5.6707 -5.6751 -3.4718 H 1 noname 0.0285 62 H26 5.1043 -7.0121 -2.4424 H 1 noname 0.0285 63 H27 -3.6728 -1.3123 -1.4398 H 1 noname 0.0665 64 H28 -0.8942 1.1362 -3.1442 H 1 noname 0.0660 65 H29 5.4681 -10.7767 1.5373 H 1 noname 0.0336 66 H30 6.2389 -9.3137 0.8786 H 1 noname 0.0336 67 H31 6.2615 -10.8289 -0.0552 H 1 noname 0.0336 @BOND 1 15 1 1 2 2 23 1 3 3 23 1 4 4 14 1 5 4 25 1 6 5 16 1 7 5 25 1 8 19 6 1 9 6 54 1 10 7 24 2 11 8 29 1 12 8 35 1 13 9 34 2 14 10 35 2 15 11 12 1 16 11 14 1 17 11 18 1 18 11 22 1 19 12 13 1 20 12 17 1 21 12 37 1 22 13 15 1 23 13 21 1 24 13 38 1 25 14 16 1 26 14 24 1 27 15 19 1 28 15 20 1 29 16 17 1 30 16 39 1 31 17 40 1 32 17 41 1 33 18 19 1 34 18 42 1 35 18 43 1 36 19 44 1 37 20 26 1 38 20 27 1 39 20 28 1 40 21 23 1 41 21 45 1 42 21 46 1 43 22 47 1 44 22 48 1 45 22 49 1 46 23 26 1 47 24 29 1 48 25 30 1 49 25 31 1 50 26 32 2 51 27 50 1 52 27 51 1 53 27 52 1 54 28 33 2 55 28 53 1 56 29 55 1 57 29 56 1 58 30 57 1 59 30 58 1 60 30 59 1 61 31 60 1 62 31 61 1 63 31 62 1 64 32 34 1 65 32 63 1 66 33 34 1 67 33 64 1 68 35 36 1 69 36 65 1 70 36 66 1 71 36 67 1 @SUBSTRUCTURE 1 noname 1