@MOLECULE 92135771 44 46 1 SMALL USER_CHARGES @ATOM 1 F1 0.6712 -4.8123 -5.8405 F 1 noname -0.1435 2 F2 -1.4742 -4.8872 -6.4594 F 1 noname -0.1435 3 F3 -0.9062 -4.9745 -4.2936 F 1 noname -0.1435 4 O1 -0.5869 -2.9621 -5.5207 O.3 1 noname -0.2111 5 O2 -9.0297 -0.3774 -0.3200 O.2 1 noname -0.2774 6 N1 -6.9767 0.2940 0.4457 N.3 1 noname -0.1377 7 N2 -8.3806 0.2460 3.8686 N.2 1 noname -0.2618 8 N3 -7.4194 0.6240 5.9569 N.3 1 noname -0.1204 9 C1 -5.6314 -0.8516 -3.6845 C.2 1 noname -0.0328 10 C2 -6.0780 -0.7847 -2.2950 C.2 1 noname 0.0019 11 C3 -7.3510 -0.2210 -1.9236 C.2 1 noname -0.0151 12 C4 -4.2919 -1.2882 -4.1939 C.2 1 noname -0.0448 13 C5 -6.6406 -0.4845 -4.6417 C.2 1 noname -0.0279 14 C6 -8.2467 0.1647 -2.9505 C.2 1 noname -0.0144 15 C7 -5.3262 -1.3632 -1.1429 C.3 1 noname 0.0119 16 C8 -7.9081 0.0146 -4.2943 C.2 1 noname -0.0524 17 C9 -7.8360 -0.0888 -0.5585 C.2 1 noname 0.0846 18 C10 -3.9900 -1.5151 -5.5841 C.2 1 noname -0.0340 19 C11 -3.1695 -1.5385 -3.3445 C.2 1 noname -0.0340 20 C12 -2.7455 -1.9839 -6.0639 C.2 1 noname -0.0166 21 C13 -1.9831 -2.1512 -3.7789 C.2 1 noname -0.0166 22 C14 -1.7667 -2.3739 -5.1397 C.2 1 noname 0.0079 23 C15 -7.1224 0.3219 1.8148 C.2 1 noname -0.0247 24 C16 -5.9502 0.5263 2.5924 C.2 1 noname -0.0210 25 C17 -8.3422 0.1504 2.5119 C.2 1 noname 0.0164 26 C18 -6.0176 0.6305 3.9980 C.2 1 noname -0.0300 27 C19 -7.2762 0.4955 4.6236 C.2 1 noname 0.0208 28 C20 -0.5988 -4.4081 -5.5136 C.3 1 noname 0.5273 29 H1 -6.4948 -0.5649 -5.6497 H 1 noname 0.0629 30 H2 -9.1882 0.5286 -2.7374 H 1 noname 0.0630 31 H3 -5.2165 -2.4621 -1.2018 H 1 noname 0.0280 32 H4 -5.8270 -1.0973 -0.2120 H 1 noname 0.0280 33 H5 -4.3060 -0.9808 -1.1761 H 1 noname 0.0280 34 H6 -8.6018 0.2556 -5.0154 H 1 noname 0.0623 35 H7 -4.6854 -1.3783 -6.3068 H 1 noname 0.0630 36 H8 -3.1619 -1.2972 -2.3604 H 1 noname 0.0630 37 H9 -2.5689 -2.1049 -7.0742 H 1 noname 0.0650 38 H10 -1.2691 -2.4478 -3.1072 H 1 noname 0.0650 39 H11 -6.0887 0.5469 0.1298 H 1 noname 0.1375 40 H12 -5.0322 0.5984 2.1329 H 1 noname 0.0641 41 H13 -9.2180 -0.0409 2.0195 H 1 noname 0.0857 42 H14 -5.1605 0.8065 4.5466 H 1 noname 0.0656 43 H15 -8.3532 0.5115 6.1942 H 1 noname 0.1257 44 H16 -7.1201 1.5051 6.2308 H 1 noname 0.1257 @BOND 1 1 28 1 2 2 28 1 3 3 28 1 4 4 22 1 5 4 28 1 6 5 17 2 7 6 17 1 8 6 23 1 9 6 39 1 10 7 25 1 11 7 27 2 12 8 27 1 13 8 43 1 14 8 44 1 15 9 10 2 16 9 12 1 17 9 13 1 18 10 11 1 19 10 15 1 20 11 14 2 21 11 17 1 22 12 18 2 23 12 19 1 24 13 16 2 25 13 29 1 26 14 16 1 27 14 30 1 28 15 31 1 29 15 32 1 30 15 33 1 31 16 34 1 32 18 20 1 33 18 35 1 34 19 21 2 35 19 36 1 36 20 22 2 37 20 37 1 38 21 22 1 39 21 38 1 40 23 24 1 41 23 25 2 42 24 26 2 43 24 40 1 44 25 41 1 45 26 27 1 46 26 42 1 @SUBSTRUCTURE 1 noname 1