@MOLECULE 91936841 51 53 1 SMALL USER_CHARGES @ATOM 1 F1 0.1634 5.3759 7.4294 F 1 noname -0.2509 2 O1 1.9253 -2.0728 -0.9665 O.2 1 noname -0.2939 3 N1 3.7527 -0.9670 0.0708 N.3 1 noname -0.0740 4 N2 0.6913 1.7659 1.1438 N.3 1 noname -0.0345 5 C1 4.4811 -2.1572 -0.3383 C.3 1 noname 0.0143 6 C2 6.0023 -1.7625 -0.3638 C.3 1 noname -0.0373 7 C3 4.0845 -3.4359 0.4956 C.3 1 noname -0.0373 8 C4 6.9610 -2.8480 0.2383 C.3 1 noname -0.0518 9 C5 4.9217 -3.5606 1.7811 C.3 1 noname -0.0518 10 C6 6.4451 -3.6022 1.5045 C.3 1 noname -0.0532 11 C7 2.3412 -1.1282 -0.2614 C.2 1 noname 0.0214 12 C8 1.4546 -0.1199 0.2811 C.2 1 noname 0.0069 13 C9 0.0749 -0.1948 0.1970 C.2 1 noname -0.0116 14 C10 -0.3555 1.0266 0.7386 C.2 1 noname -0.0729 15 C11 0.6160 3.0421 1.7386 C.3 1 noname -0.0538 16 C12 1.8207 1.0865 0.8878 C.2 1 noname -0.0605 17 C13 0.5162 2.8916 3.2579 C.3 1 noname -0.0369 18 C14 0.4344 4.2764 3.9033 C.3 1 noname -0.0493 19 C15 -0.8102 -1.1917 -0.3094 C.2 1 noname -0.0336 20 C16 -1.7342 1.3450 0.8098 C.2 1 noname -0.0415 21 C17 0.3346 4.1259 5.4226 C.3 1 noname -0.0245 22 C18 -2.1980 -0.8778 -0.2338 C.2 1 noname -0.0531 23 C19 -2.6485 0.3646 0.3143 C.2 1 noname -0.0508 24 C20 0.2528 5.5107 6.0680 C.3 1 noname 0.0895 25 H1 4.1201 -2.4222 -1.3321 H 1 noname 0.0469 26 H2 6.1421 -0.8203 0.1660 H 1 noname 0.0282 27 H3 3.0267 -3.3873 0.7542 H 1 noname 0.0282 28 H4 4.3174 -4.3036 -0.1217 H 1 noname 0.0282 29 H5 6.3031 -1.5386 -1.3872 H 1 noname 0.0282 30 H6 4.6260 -4.4598 2.3216 H 1 noname 0.0267 31 H7 4.6974 -2.6817 2.3855 H 1 noname 0.0267 32 H8 7.2216 -3.5713 -0.5344 H 1 noname 0.0267 33 H9 7.9154 -2.3783 0.4759 H 1 noname 0.0267 34 H10 6.7802 -4.6388 1.4717 H 1 noname 0.0266 35 H11 6.9061 -3.1480 2.3816 H 1 noname 0.0266 36 H12 4.1437 -0.1885 0.4974 H 1 noname 0.1316 37 H13 -0.2651 3.5649 1.3666 H 1 noname 0.0472 38 H14 1.5100 3.6131 1.4880 H 1 noname 0.0472 39 H15 2.7707 1.3933 1.0971 H 1 noname 0.0799 40 H16 -0.3779 2.3206 3.5085 H 1 noname 0.0283 41 H17 1.3973 2.3688 3.6299 H 1 noname 0.0283 42 H18 -0.4467 4.7992 3.5313 H 1 noname 0.0268 43 H19 1.3285 4.8474 3.6527 H 1 noname 0.0268 44 H20 -0.4722 -2.0712 -0.6998 H 1 noname 0.0629 45 H21 -2.0588 2.2315 1.1961 H 1 noname 0.0642 46 H22 -0.5594 3.5549 5.6732 H 1 noname 0.0293 47 H23 1.2157 3.6031 5.7946 H 1 noname 0.0293 48 H24 -2.8829 -1.5513 -0.5768 H 1 noname 0.0622 49 H25 -3.6497 0.5559 0.3525 H 1 noname 0.0623 50 H26 -0.6283 6.0335 5.6960 H 1 noname 0.0623 51 H27 1.1469 6.0817 5.8174 H 1 noname 0.0623 @BOND 1 1 24 1 2 2 11 2 3 3 5 1 4 3 11 1 5 3 36 1 6 4 14 1 7 4 15 1 8 4 16 1 9 5 6 1 10 5 7 1 11 5 25 1 12 6 8 1 13 6 26 1 14 6 29 1 15 7 9 1 16 7 27 1 17 7 28 1 18 8 10 1 19 8 32 1 20 8 33 1 21 9 10 1 22 9 30 1 23 9 31 1 24 10 34 1 25 10 35 1 26 11 12 1 27 12 13 1 28 12 16 2 29 13 14 1 30 13 19 2 31 14 20 2 32 15 17 1 33 15 37 1 34 15 38 1 35 16 39 1 36 17 18 1 37 17 40 1 38 17 41 1 39 18 21 1 40 18 42 1 41 18 43 1 42 19 22 1 43 19 44 1 44 20 23 1 45 20 45 1 46 21 24 1 47 21 46 1 48 21 47 1 49 22 23 2 50 22 48 1 51 23 49 1 52 24 50 1 53 24 51 1 @SUBSTRUCTURE 1 noname 1