@MOLECULE 71812246 41 41 1 SMALL USER_CHARGES @ATOM 1 F1 -5.4290 -1.9616 8.5653 F 1 noname -0.1763 2 O1 -3.8061 -1.3590 5.1333 O.3 1 noname -0.2696 3 O2 -1.7135 0.6076 -0.4062 O.2 1 noname -0.2963 4 N1 -0.2612 -1.0677 -0.0639 N.3 1 noname -0.0746 5 N2 -4.1163 1.0380 8.7726 N.3 1 noname -0.3266 6 C1 0.7455 -0.5042 -0.8745 C.3 1 noname 0.0172 7 C2 2.0890 -0.5807 -0.1464 C.3 1 noname -0.0469 8 C3 0.8339 -1.2792 -2.1907 C.3 1 noname -0.0469 9 C4 0.4061 0.9589 -1.1661 C.3 1 noname -0.0469 10 C5 -1.3055 -0.3224 0.3226 C.2 1 noname 0.0094 11 C6 -1.9352 -0.5834 1.5340 C.2 1 noname -0.0230 12 C7 -1.4815 -1.6176 2.3444 C.2 1 noname -0.0072 13 C8 -3.0186 0.1897 1.9349 C.2 1 noname -0.0072 14 C9 -3.1946 -1.1055 3.9567 C.2 1 noname 0.0160 15 C10 -2.1112 -1.8786 3.5558 C.2 1 noname -0.0151 16 C11 -3.6483 -0.0714 3.1463 C.2 1 noname -0.0151 17 C12 -3.1875 -0.5999 6.1616 C.3 1 noname 0.0782 18 C13 -3.8353 -0.8684 7.4078 C.2 1 noname 0.0245 19 C14 -3.3886 -0.2183 8.6005 C.3 1 noname 0.0186 20 C15 -4.8533 -1.7229 7.4576 C.2 1 noname 0.0237 21 H1 2.8672 -0.1451 -0.7731 H 1 noname 0.0249 22 H2 1.1843 1.3946 -1.7927 H 1 noname 0.0249 23 H3 -0.5510 1.0135 -1.6848 H 1 noname 0.0249 24 H4 0.3431 1.5111 -0.2284 H 1 noname 0.0249 25 H5 1.6121 -0.8436 -2.8174 H 1 noname 0.0249 26 H6 -0.1232 -1.2247 -2.7095 H 1 noname 0.0249 27 H7 1.0758 -2.3216 -1.9830 H 1 noname 0.0249 28 H8 2.0260 -0.0285 0.7913 H 1 noname 0.0249 29 H9 2.3308 -1.6230 0.0613 H 1 noname 0.0249 30 H10 -0.1977 -1.9949 0.2139 H 1 noname 0.1319 31 H11 -0.6866 -2.1849 2.0502 H 1 noname 0.0631 32 H12 -3.3515 0.9485 1.3402 H 1 noname 0.0631 33 H13 -1.7783 -2.6375 4.1505 H 1 noname 0.0650 34 H14 -4.4432 0.4959 3.4405 H 1 noname 0.0650 35 H15 -3.2713 0.4619 5.9299 H 1 noname 0.0621 36 H16 -2.1350 -0.8742 6.2326 H 1 noname 0.0621 37 H17 -3.5731 -0.8654 9.4580 H 1 noname 0.0474 38 H18 -2.3210 -0.0121 8.5240 H 1 noname 0.0474 39 H19 -5.1625 -2.1731 6.6318 H 1 noname 0.0955 40 H20 -3.7971 1.5027 9.6250 H 1 noname 0.1187 41 H21 -5.1173 0.8448 8.8444 H 1 noname 0.1187 @BOND 1 1 20 1 2 2 14 1 3 2 17 1 4 3 10 2 5 4 6 1 6 4 10 1 7 4 30 1 8 5 19 1 9 5 40 1 10 5 41 1 11 6 7 1 12 6 8 1 13 6 9 1 14 7 21 1 15 7 28 1 16 7 29 1 17 8 25 1 18 8 26 1 19 8 27 1 20 9 22 1 21 9 23 1 22 9 24 1 23 10 11 1 24 11 12 2 25 11 13 1 26 12 15 1 27 12 31 1 28 13 16 2 29 13 32 1 30 14 15 2 31 14 16 1 32 15 33 1 33 16 34 1 34 17 18 1 35 17 35 1 36 17 36 1 37 18 19 1 38 18 20 2 39 19 37 1 40 19 38 1 41 20 39 1 @SUBSTRUCTURE 1 noname 1