@MOLECULE 66957887 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 -2.8664 -0.9583 2.6865 F 1 noname -0.1641 2 O1 1.0908 1.8783 2.9812 O.2 1 noname -0.2891 3 O2 4.0652 3.1571 0.6220 O.3 1 noname -0.2151 4 O3 2.6890 3.7876 2.2895 O.2 1 noname -0.2535 5 N1 0.8174 0.9859 -0.9462 N.3 1 noname 0.0442 6 N2 -3.2374 -1.6551 0.0607 N.3 1 noname -0.1135 7 N3 -6.0038 -1.8599 0.6967 N.3 1 noname -0.3116 8 C1 0.7476 0.6663 -2.3177 C.3 1 noname -0.0155 9 C2 1.6246 -0.5546 -2.6022 C.3 1 noname -0.0458 10 C3 2.1271 0.8469 -2.9543 C.3 1 noname -0.0458 11 C4 -0.0914 0.4079 -0.0906 C.2 1 noname -0.0078 12 C5 1.7928 1.8628 -0.5245 C.2 1 noname -0.0020 13 C6 -0.0105 0.7258 1.3133 C.2 1 noname -0.0406 14 C7 -2.1170 -0.8896 0.4456 C.2 1 noname 0.0344 15 C8 -1.1471 -0.4430 -0.5353 C.2 1 noname -0.0470 16 C9 -4.1648 -1.2053 -0.9960 C.3 1 noname 0.0184 17 C10 -5.7005 -1.4445 -0.7105 C.3 1 noname 0.0172 18 C11 -3.6302 -2.8523 0.7902 C.3 1 noname 0.0158 19 C12 -0.9129 0.2613 2.2925 C.2 1 noname 0.0327 20 C13 -5.0056 -2.6239 1.4987 C.3 1 noname 0.0087 21 C14 1.9080 2.1941 0.8463 C.2 1 noname 0.1012 22 C15 0.9997 1.6103 1.7637 C.2 1 noname 0.0944 23 C16 -1.9803 -0.5339 1.8336 C.2 1 noname 0.0011 24 C17 -6.2419 -2.4965 -1.6806 C.3 1 noname -0.0485 25 C18 -0.7490 0.5875 3.7061 C.3 1 noname 0.0243 26 C19 2.8915 3.0738 1.2836 C.2 1 noname 0.1174 27 H1 -0.1533 0.2038 -2.7207 H 1 noname 0.0352 28 H2 1.2727 -1.0522 -3.5059 H 1 noname 0.0273 29 H3 2.3692 -0.9755 -1.9264 H 1 noname 0.0273 30 H4 2.0138 1.0151 -4.0253 H 1 noname 0.0273 31 H5 2.9129 1.2648 -2.3251 H 1 noname 0.0273 32 H6 2.4339 2.2744 -1.2027 H 1 noname 0.0635 33 H7 -3.9941 -0.1490 -1.2037 H 1 noname 0.0450 34 H8 -3.9222 -1.7270 -1.9217 H 1 noname 0.0450 35 H9 -1.2172 -0.7280 -1.5122 H 1 noname 0.0647 36 H10 -6.2623 -0.5428 -0.9543 H 1 noname 0.0475 37 H11 -3.7131 -3.6893 0.0969 H 1 noname 0.0448 38 H12 -2.8951 -3.1011 1.5556 H 1 noname 0.0448 39 H13 -5.4302 -3.5857 1.7864 H 1 noname 0.0441 40 H14 -4.8467 -2.0460 2.4091 H 1 noname 0.0441 41 H15 -6.9037 -2.3435 0.7227 H 1 noname 0.1225 42 H16 -6.0212 -2.1943 -2.7044 H 1 noname 0.0247 43 H17 -7.3205 -2.5874 -1.5531 H 1 noname 0.0247 44 H18 -5.7694 -3.4571 -1.4756 H 1 noname 0.0247 45 H19 -1.6271 1.1287 4.0583 H 1 noname 0.0281 46 H20 -0.6344 -0.3320 4.2802 H 1 noname 0.0281 47 H21 0.1370 1.2092 3.8352 H 1 noname 0.0281 48 H22 4.5613 4.0021 0.6086 H 1 noname 0.2216 @BOND 1 1 23 1 2 2 22 2 3 3 26 1 4 3 48 1 5 4 26 2 6 5 8 1 7 5 11 1 8 5 12 1 9 6 14 1 10 6 16 1 11 6 18 1 12 7 17 1 13 7 20 1 14 7 41 1 15 8 9 1 16 8 10 1 17 8 27 1 18 9 10 1 19 9 28 1 20 9 29 1 21 10 30 1 22 10 31 1 23 11 13 1 24 11 15 2 25 12 21 2 26 12 32 1 27 13 19 2 28 13 22 1 29 14 15 1 30 14 23 2 31 15 35 1 32 16 17 1 33 16 33 1 34 16 34 1 35 17 24 1 36 17 36 1 37 18 20 1 38 18 37 1 39 18 38 1 40 19 23 1 41 19 25 1 42 20 39 1 43 20 40 1 44 21 22 1 45 21 26 1 46 24 42 1 47 24 43 1 48 24 44 1 49 25 45 1 50 25 46 1 51 25 47 1 @SUBSTRUCTURE 1 noname 1