@MOLECULE 70682615 51 53 1 SMALL USER_CHARGES @ATOM 1 F1 16.5033 0.2846 -2.1441 F 1 noname -0.1661 2 F2 16.7902 2.4743 -2.5122 F 1 noname -0.1661 3 F3 15.2111 1.7762 -1.0868 F 1 noname -0.1661 4 O1 2.7035 3.2326 -6.1237 O.2 1 noname -0.2953 5 N1 9.0936 1.6976 -5.5698 N.3 1 noname -0.3007 6 N2 11.3382 1.8882 -4.0553 N.3 1 noname -0.0967 7 N3 2.8882 0.8610 -6.7288 N.3 1 noname -0.0702 8 N4 13.1217 1.2957 -5.4668 N.2 1 noname -0.2637 9 C1 9.0759 0.8763 -4.3087 C.3 1 noname 0.0115 10 C2 9.8461 2.9955 -5.6264 C.3 1 noname 0.0115 11 C3 7.7124 2.0726 -5.9121 C.3 1 noname -0.0016 12 C4 10.9027 3.1882 -4.5073 C.3 1 noname 0.0173 13 C5 10.4356 0.8679 -3.5680 C.3 1 noname 0.0173 14 C6 6.8598 0.9466 -6.5198 C.3 1 noname -0.0392 15 C7 5.4482 1.4973 -6.4763 C.3 1 noname -0.0387 16 C8 4.3359 0.4858 -6.8632 C.3 1 noname 0.0058 17 C9 2.1331 0.1016 -7.7520 C.3 1 noname 0.0062 18 C10 1.2805 1.0728 -8.5736 C.3 1 noname -0.0316 19 C11 1.9914 2.3999 -8.3568 C.3 1 noname 0.0226 20 C12 2.5537 2.2986 -6.9407 C.2 1 noname 0.0419 21 C13 12.6454 1.5964 -4.2031 C.2 1 noname 0.0338 22 C14 13.5307 1.6614 -3.0796 C.2 1 noname -0.0014 23 C15 14.9033 1.4356 -3.3529 C.2 1 noname 0.0054 24 C16 14.4488 1.0707 -5.7560 C.2 1 noname 0.0014 25 C17 15.3669 1.1527 -4.6744 C.2 1 noname -0.0262 26 C18 15.8667 1.4936 -2.2573 C.3 1 noname 0.4162 27 H1 9.1402 3.8259 -5.6066 H 1 noname 0.0444 28 H2 10.3168 3.0282 -6.6090 H 1 noname 0.0444 29 H3 8.3007 1.2524 -3.6410 H 1 noname 0.0444 30 H4 8.7309 -0.1348 -4.5249 H 1 noname 0.0444 31 H5 7.2138 2.4689 -5.0276 H 1 noname 0.0430 32 H6 7.7341 2.8920 -6.6306 H 1 noname 0.0430 33 H7 10.2686 1.0104 -2.5003 H 1 noname 0.0448 34 H8 10.9487 -0.0872 -3.6800 H 1 noname 0.0448 35 H9 10.4553 3.7312 -3.6748 H 1 noname 0.0448 36 H10 11.7366 3.7795 -4.8855 H 1 noname 0.0448 37 H11 6.9240 0.0608 -5.8879 H 1 noname 0.0280 38 H12 7.1774 0.6650 -7.5238 H 1 noname 0.0280 39 H13 5.2451 1.8984 -5.4834 H 1 noname 0.0280 40 H14 5.3805 2.3614 -7.1372 H 1 noname 0.0280 41 H15 4.5142 -0.4621 -6.3555 H 1 noname 0.0435 42 H16 4.4939 0.1770 -7.8965 H 1 noname 0.0435 43 H17 1.4853 -0.6245 -7.2608 H 1 noname 0.0435 44 H18 2.8531 -0.4489 -8.3575 H 1 noname 0.0435 45 H19 0.2777 1.1243 -8.1494 H 1 noname 0.0284 46 H20 1.1950 0.7932 -9.6236 H 1 noname 0.0284 47 H21 1.2662 3.2123 -8.4025 H 1 noname 0.0361 48 H22 2.8116 2.4515 -9.0729 H 1 noname 0.0361 49 H23 13.1933 1.8587 -2.1374 H 1 noname 0.0662 50 H24 14.7589 0.8549 -6.7035 H 1 noname 0.0840 51 H25 16.3626 1.0088 -4.8425 H 1 noname 0.0644 @BOND 1 1 26 1 2 2 26 1 3 3 26 1 4 4 20 2 5 5 9 1 6 5 10 1 7 5 11 1 8 6 12 1 9 6 13 1 10 6 21 1 11 7 16 1 12 7 17 1 13 7 20 1 14 8 21 2 15 8 24 1 16 9 13 1 17 9 29 1 18 9 30 1 19 10 12 1 20 10 27 1 21 10 28 1 22 11 14 1 23 11 31 1 24 11 32 1 25 12 35 1 26 12 36 1 27 13 33 1 28 13 34 1 29 14 15 1 30 14 37 1 31 14 38 1 32 15 16 1 33 15 39 1 34 15 40 1 35 16 41 1 36 16 42 1 37 17 18 1 38 17 43 1 39 17 44 1 40 18 19 1 41 18 45 1 42 18 46 1 43 19 20 1 44 19 47 1 45 19 48 1 46 21 22 1 47 22 23 2 48 22 49 1 49 23 25 1 50 23 26 1 51 24 25 2 52 24 50 1 53 25 51 1 @SUBSTRUCTURE 1 noname 1