@MOLECULE 71587631 32 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.4940 -0.7924 0.2281 Cl 1 noname -0.0843 2 F1 -0.9226 3.6867 -1.4483 F 1 noname -0.1664 3 F2 0.1666 3.0448 -3.2960 F 1 noname -0.1664 4 F3 -1.8580 2.2043 -2.8412 F 1 noname -0.1664 5 O1 1.1988 2.1161 -1.0085 O.3 1 noname -0.1638 6 O2 3.1322 1.4940 0.2596 O.2 1 noname -0.2302 7 N1 0.9709 1.1473 1.1666 N.3 1 noname -0.1075 8 C1 -0.0186 1.4786 -1.5047 C.3 1 noname 0.2605 9 C2 -0.8946 0.9159 -0.3991 C.2 1 noname 0.0067 10 C3 -0.3227 0.7936 0.9253 C.2 1 noname 0.0031 11 C4 -0.6771 2.6369 -2.2953 C.3 1 noname 0.4337 12 C5 -2.2277 0.4092 -0.5931 C.2 1 noname 0.0009 13 C6 -1.0304 0.1958 2.0071 C.2 1 noname -0.0173 14 C7 0.3684 0.3840 -2.5294 C.1 1 noname -0.0691 15 C8 1.8891 1.5747 0.1564 C.2 1 noname 0.1376 16 C9 -2.9370 -0.1951 0.4827 C.2 1 noname -0.0056 17 C10 -2.3423 -0.2992 1.7720 C.2 1 noname -0.0175 18 C11 1.0071 -1.4228 -4.2208 C.3 1 noname 0.0088 19 C12 0.6668 -0.4600 -3.3195 C.1 1 noname -0.0832 20 C13 0.9650 -2.7938 -3.5428 C.3 1 noname -0.0451 21 C14 1.3474 -3.8753 -4.5553 C.3 1 noname -0.0645 22 H1 -2.6681 0.4839 -1.5100 H 1 noname 0.0643 23 H2 1.2895 1.1067 2.0819 H 1 noname 0.1396 24 H3 -0.6048 0.1243 2.9314 H 1 noname 0.0640 25 H4 -2.8625 -0.7331 2.5345 H 1 noname 0.0638 26 H5 0.3030 -1.4071 -5.0526 H 1 noname 0.0402 27 H6 2.0137 -1.2324 -4.5931 H 1 noname 0.0402 28 H7 -0.0415 -2.9842 -3.1705 H 1 noname 0.0273 29 H8 1.6692 -2.8095 -2.7110 H 1 noname 0.0273 30 H9 1.3174 -4.8520 -4.0723 H 1 noname 0.0231 31 H10 0.6432 -3.8595 -5.3871 H 1 noname 0.0231 32 H11 2.3540 -3.6849 -4.9276 H 1 noname 0.0231 @BOND 1 1 16 1 2 2 11 1 3 3 11 1 4 4 11 1 5 5 8 1 6 5 15 1 7 6 15 2 8 7 10 1 9 7 15 1 10 7 23 1 11 8 9 1 12 8 11 1 13 8 14 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 14 19 3 22 16 17 1 23 17 25 1 24 18 19 1 25 18 20 1 26 18 26 1 27 18 27 1 28 20 21 1 29 20 28 1 30 20 29 1 31 21 30 1 32 21 31 1 33 21 32 1 @SUBSTRUCTURE 1 noname 1