@MOLECULE 76969391 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.4613 -0.8713 0.1683 Cl 1 noname -0.0843 2 F1 -0.9079 3.5857 -1.6027 F 1 noname -0.1664 3 F2 0.1846 2.9089 -3.4360 F 1 noname -0.1664 4 F3 -1.8367 2.0700 -2.9638 F 1 noname -0.1664 5 O1 1.2198 2.0337 -1.1288 O.3 1 noname -0.1638 6 O2 3.1554 1.4469 0.1527 O.2 1 noname -0.2302 7 N1 0.9952 1.1107 1.0664 N.3 1 noname -0.1075 8 C1 0.0052 1.3807 -1.6116 C.3 1 noname 0.2608 9 C2 -0.8687 0.8381 -0.4944 C.2 1 noname 0.0067 10 C3 -0.2968 0.7466 0.8324 C.2 1 noname 0.0031 11 C4 -0.6578 2.5191 -2.4270 C.3 1 noname 0.4337 12 C5 -2.1996 0.3219 -0.6779 C.2 1 noname 0.0009 13 C6 -1.0024 0.1692 1.9266 C.2 1 noname -0.0173 14 C7 1.9120 1.5203 0.0475 C.2 1 noname 0.1376 15 C8 0.3971 0.2660 -2.6126 C.1 1 noname -0.0519 16 C9 -2.9068 -0.2622 0.4104 C.2 1 noname -0.0056 17 C10 -2.3121 -0.3362 1.7018 C.2 1 noname -0.0175 18 C11 0.6993 -0.5935 -3.3843 C.1 1 noname -0.0486 19 C12 1.0186 -1.5019 -4.2001 C.2 1 noname -0.0488 20 C13 1.4885 -2.7633 -3.7175 C.3 1 noname -0.0323 21 C14 0.9182 -1.2860 -5.5086 C.2 1 noname -0.0628 22 H1 -2.6401 0.3752 -1.5963 H 1 noname 0.0643 23 H2 1.3137 1.0910 1.9825 H 1 noname 0.1396 24 H3 -0.5769 0.1192 2.8523 H 1 noname 0.0640 25 H4 -2.8308 -0.7559 2.4733 H 1 noname 0.0638 26 H5 0.7196 -3.2245 -3.0976 H 1 noname 0.0286 27 H6 1.7132 -3.4146 -4.5621 H 1 noname 0.0286 28 H7 2.3908 -2.6124 -3.1249 H 1 noname 0.0286 29 H8 0.5929 -0.4127 -5.8427 H 1 noname 0.0547 30 H9 1.1687 -1.9987 -6.1485 H 1 noname 0.0547 @BOND 1 1 16 1 2 2 11 1 3 3 11 1 4 4 11 1 5 5 8 1 6 5 14 1 7 6 14 2 8 7 10 1 9 7 14 1 10 7 23 1 11 8 9 1 12 8 11 1 13 8 15 1 14 9 10 2 15 9 12 1 16 10 13 1 17 12 16 2 18 12 22 1 19 13 17 2 20 13 24 1 21 15 18 3 22 16 17 1 23 17 25 1 24 18 19 1 25 19 20 1 26 19 21 2 27 20 26 1 28 20 27 1 29 20 28 1 30 21 29 1 31 21 30 1 @SUBSTRUCTURE 1 noname 1