@MOLECULE 76966160 49 52 1 SMALL USER_CHARGES @ATOM 1 F1 -4.1098 -2.3919 -2.6333 F 1 noname -0.1661 2 F2 -4.4744 -0.4082 -1.6540 F 1 noname -0.1661 3 F3 -4.1231 -2.2189 -0.4235 F 1 noname -0.1661 4 F4 -1.2620 0.6949 -7.9787 F 1 noname -0.1661 5 F5 -1.6972 2.6809 -7.0342 F 1 noname -0.1661 6 F6 0.0422 2.4408 -8.3895 F 1 noname -0.1661 7 O1 2.7278 -2.0415 -0.1744 O.3 1 noname -0.3866 8 N1 3.7789 0.0860 1.4525 N.3 1 noname -0.3111 9 C1 2.8799 0.4718 0.3313 C.3 1 noname 0.0371 10 C2 1.5252 1.1188 0.7908 C.3 1 noname -0.0348 11 C3 2.8429 -0.7109 -0.7051 C.3 1 noname 0.0950 12 C4 1.5067 1.4849 2.2880 C.3 1 noname -0.0505 13 C5 1.9811 0.3364 3.2153 C.3 1 noname -0.0406 14 C6 3.1269 -0.5410 2.6282 C.3 1 noname -0.0044 15 C7 1.8784 -0.4297 -1.8234 C.2 1 noname -0.0224 16 C8 0.4701 -0.7305 -1.7974 C.2 1 noname -0.0237 17 C9 2.4173 0.2560 -2.9325 C.2 1 noname -0.0288 18 C10 -0.3639 -0.3189 -2.8994 C.2 1 noname -0.0174 19 C11 0.2185 0.3674 -4.0075 C.2 1 noname -0.0195 20 C12 1.6209 0.6545 -4.0010 C.2 1 noname -0.0309 21 C13 -0.1367 -1.3737 -0.6845 C.2 1 noname -0.0337 22 C14 -1.7640 -0.6138 -2.8028 C.2 1 noname -0.0085 23 C15 -0.5149 0.7770 -5.1455 C.2 1 noname -0.0089 24 C16 2.2379 1.3355 -5.0741 C.2 1 noname -0.0367 25 C17 -2.3334 -1.2749 -1.6904 C.2 1 noname -0.0043 26 C18 -1.4976 -1.6512 -0.6347 C.2 1 noname -0.0215 27 C19 0.1027 1.4315 -6.2343 C.2 1 noname -0.0044 28 C20 1.4798 1.7101 -6.1859 C.2 1 noname -0.0220 29 C21 -3.7731 -1.5764 -1.5938 C.3 1 noname 0.4161 30 C22 -0.7026 1.8160 -7.4172 C.3 1 noname 0.4161 31 H1 3.3865 1.2991 -0.1763 H 1 noname 0.0495 32 H2 0.6934 0.4733 0.6261 H 1 noname 0.0283 33 H3 1.3101 2.0132 0.1921 H 1 noname 0.0283 34 H4 3.8616 -0.7903 -1.0947 H 1 noname 0.0668 35 H5 0.4944 1.7919 2.5757 H 1 noname 0.0267 36 H6 2.1775 2.3325 2.4255 H 1 noname 0.0267 37 H7 1.1302 -0.3057 3.4646 H 1 noname 0.0279 38 H8 2.3201 0.7995 4.1443 H 1 noname 0.0279 39 H9 4.4725 -0.5660 1.0734 H 1 noname 0.1226 40 H10 2.7393 -1.5281 2.3729 H 1 noname 0.0428 41 H11 3.8928 -0.7151 3.3902 H 1 noname 0.0428 42 H12 3.4170 0.4735 -2.9504 H 1 noname 0.0633 43 H13 2.0101 -2.0379 0.4678 H 1 noname 0.2109 44 H14 0.3771 -1.6251 0.1605 H 1 noname 0.0629 45 H15 -2.4065 -0.3611 -3.5367 H 1 noname 0.0635 46 H16 -1.5195 0.5979 -5.2150 H 1 noname 0.0635 47 H17 3.2405 1.5580 -5.0648 H 1 noname 0.0629 48 H18 -1.8486 -2.1126 0.2229 H 1 noname 0.0629 49 H19 1.9533 2.1857 -6.9598 H 1 noname 0.0629 @BOND 1 1 29 1 2 2 29 1 3 3 29 1 4 4 30 1 5 5 30 1 6 6 30 1 7 11 7 1 8 7 43 1 9 8 9 1 10 8 14 1 11 8 39 1 12 9 10 1 13 9 11 1 14 9 31 1 15 10 12 1 16 10 32 1 17 10 33 1 18 11 15 1 19 11 34 1 20 12 13 1 21 12 35 1 22 12 36 1 23 13 14 1 24 13 37 1 25 13 38 1 26 14 40 1 27 14 41 1 28 15 16 2 29 15 17 1 30 16 18 1 31 16 21 1 32 17 20 2 33 17 42 1 34 18 19 2 35 18 22 1 36 19 20 1 37 19 23 1 38 20 24 1 39 21 26 2 40 21 44 1 41 22 25 2 42 22 45 1 43 23 27 2 44 23 46 1 45 24 28 2 46 24 47 1 47 25 26 1 48 25 29 1 49 26 48 1 50 27 28 1 51 27 30 1 52 28 49 1 @SUBSTRUCTURE 1 noname 1