@MOLECULE 91810659 52 55 1 SMALL USER_CHARGES @ATOM 1 F1 2.4376 -0.4722 -3.1641 F 1 noname -0.2392 2 O1 -0.8906 -1.9242 -2.9851 O.3 1 noname -0.3893 3 O2 3.4794 -6.9085 -3.9634 O.3 1 noname -0.3889 4 C1 1.5798 -1.4396 -2.7035 C.3 1 noname 0.1521 5 C2 2.0391 -2.8721 -3.3916 C.3 1 noname 0.0259 6 C3 1.6666 -1.3617 -1.1247 C.3 1 noname 0.0180 7 C4 1.3092 -0.0671 -0.4996 C.2 1 noname -0.0633 8 C5 0.1013 -0.8932 -2.9775 C.3 1 noname 0.0933 9 C6 0.1998 0.5822 -0.8847 C.2 1 noname -0.0628 10 C7 2.9869 -2.0293 -0.6817 C.3 1 noname -0.0397 11 C8 2.3699 -3.8951 -2.3154 C.2 1 noname -0.0602 12 C9 -0.2039 1.6941 -0.0268 C.3 1 noname -0.0137 13 C10 -0.5901 0.1285 -2.0081 C.3 1 noname -0.0018 14 C11 3.3938 -3.0027 -4.2397 C.3 1 noname -0.0381 15 C12 2.7927 -3.5375 -0.9317 C.3 1 noname -0.0306 16 C13 1.9098 0.5793 0.6527 C.3 1 noname -0.0305 17 C14 1.0923 1.8850 0.8310 C.3 1 noname -0.0406 18 C15 0.9951 -3.2194 -4.5635 C.3 1 noname -0.0527 19 C16 3.7218 -4.5263 -4.6310 C.3 1 noname -0.0224 20 C17 2.6204 -5.1997 -2.5805 C.2 1 noname -0.0584 21 C18 2.8323 -5.6345 -3.9322 C.3 1 noname 0.0725 22 C19 -1.4200 1.2900 0.8854 C.3 1 noname -0.0561 23 C20 -0.5973 2.9704 -0.8535 C.3 1 noname -0.0561 24 H1 0.8599 -2.0022 -0.7327 H 1 noname 0.0383 25 H2 0.1117 -0.4367 -3.9737 H 1 noname 0.0637 26 H3 3.2292 -1.8633 0.3821 H 1 noname 0.0277 27 H4 3.8418 -1.6604 -1.2628 H 1 noname 0.0277 28 H5 -1.4960 -0.3069 -1.5604 H 1 noname 0.0340 29 H6 -0.9232 0.9760 -2.6033 H 1 noname 0.0340 30 H7 3.3532 -2.4222 -5.1664 H 1 noname 0.0277 31 H8 4.2357 -2.5658 -3.6847 H 1 noname 0.0277 32 H9 2.0735 -3.9383 -0.2074 H 1 noname 0.0313 33 H10 3.7729 -3.9644 -0.6808 H 1 noname 0.0313 34 H11 1.8271 -0.0613 1.5375 H 1 noname 0.0313 35 H12 2.9611 0.8057 0.4622 H 1 noname 0.0313 36 H13 0.8830 2.0708 1.8891 H 1 noname 0.0278 37 H14 1.6845 2.7317 0.4737 H 1 noname 0.0278 38 H15 1.2834 -3.9592 -5.3287 H 1 noname 0.0240 39 H16 0.0355 -3.5539 -4.2148 H 1 noname 0.0240 40 H17 0.8220 -2.3285 -5.1569 H 1 noname 0.0240 41 H18 3.6297 -4.6793 -5.7088 H 1 noname 0.0296 42 H19 4.7638 -4.7222 -4.3712 H 1 noname 0.0296 43 H20 2.7809 -5.8588 -1.8512 H 1 noname 0.0602 44 H21 1.8481 -5.8047 -4.3887 H 1 noname 0.0645 45 H22 -1.7138 2.1304 1.5106 H 1 noname 0.0239 46 H23 -2.2968 1.0113 0.3004 H 1 noname 0.0239 47 H24 -1.1801 0.4505 1.5426 H 1 noname 0.0239 48 H25 -0.7874 3.8168 -0.1938 H 1 noname 0.0239 49 H26 -1.5062 2.7948 -1.4392 H 1 noname 0.0239 50 H27 0.1972 3.2410 -1.5516 H 1 noname 0.0239 51 H28 -1.0567 -2.0583 -3.9493 H 1 noname 0.2105 52 H29 3.6358 -7.1729 -4.8940 H 1 noname 0.2108 @BOND 1 4 1 1 2 8 2 1 3 2 51 1 4 21 3 1 5 3 52 1 6 4 5 1 7 4 6 1 8 4 8 1 9 5 11 1 10 5 14 1 11 5 18 1 12 6 7 1 13 6 10 1 14 6 24 1 15 7 9 2 16 7 16 1 17 8 13 1 18 8 25 1 19 9 12 1 20 9 13 1 21 10 15 1 22 10 26 1 23 10 27 1 24 11 15 1 25 11 20 2 26 12 17 1 27 12 22 1 28 12 23 1 29 13 28 1 30 13 29 1 31 14 19 1 32 14 30 1 33 14 31 1 34 15 32 1 35 15 33 1 36 16 17 1 37 16 34 1 38 16 35 1 39 17 36 1 40 17 37 1 41 18 38 1 42 18 39 1 43 18 40 1 44 19 21 1 45 19 41 1 46 19 42 1 47 20 21 1 48 20 43 1 49 21 44 1 50 22 45 1 51 22 46 1 52 22 47 1 53 23 48 1 54 23 49 1 55 23 50 1 @SUBSTRUCTURE 1 noname 1