@MOLECULE 71236569 43 45 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.8710 -3.1571 5.5872 Cl 1 noname -0.0653 2 Cl2 4.2652 -5.1653 7.9083 Cl 1 noname -0.0722 3 O1 -1.5080 -1.7844 3.6183 O.3 1 noname -0.3435 4 O2 0.5003 -5.0301 1.8101 O.3 1 noname -0.3873 5 O3 1.5151 -2.3379 1.5531 O.3 1 noname -0.3860 6 O4 -2.4669 -4.8177 2.5331 O.3 1 noname -0.3869 7 O5 -1.7779 -4.0769 6.3690 O.3 1 noname -0.2098 8 O6 -0.1373 -2.6775 5.7187 O.2 1 noname -0.2442 9 N1 0.5015 -0.8358 4.2435 N.3 1 noname -0.0731 10 N2 2.1531 0.3581 3.1529 N.2 1 noname -0.2247 11 N3 4.0339 -0.7817 4.6349 N.2 1 noname -0.1678 12 N4 4.3744 -0.0221 3.6085 N.2 1 noname -0.2048 13 N5 3.7843 1.3815 1.8002 N.3 1 noname -0.0702 14 C1 -0.2601 -3.8758 2.1357 C.3 1 noname 0.1128 15 C2 0.6846 -2.7590 2.6252 C.3 1 noname 0.1224 16 C3 -1.3439 -4.2486 3.1898 C.3 1 noname 0.1185 17 C4 -0.1366 -1.5195 3.1760 C.3 1 noname 0.1431 18 C5 -1.8191 -3.1088 4.1360 C.3 1 noname 0.1733 19 C6 -1.2009 -3.2760 5.4481 C.2 1 noname 0.1514 20 C7 1.7887 -0.4546 4.1802 C.2 1 noname 0.0782 21 C8 2.7551 -1.0682 5.0259 C.2 1 noname 0.0331 22 C9 2.4763 -1.9925 6.1067 C.2 1 noname 0.0128 23 C10 3.4424 0.5925 2.8279 C.2 1 noname 0.1084 24 C11 3.4271 -3.0323 6.4506 C.2 1 noname 0.0448 25 C12 1.2430 -1.9174 6.8647 C.2 1 noname -0.0211 26 C13 3.1576 -3.9555 7.5138 C.2 1 noname 0.0258 27 C14 0.9590 -2.8238 7.9221 C.2 1 noname -0.0418 28 C15 1.9292 -3.8270 8.2313 C.2 1 noname -0.0099 29 H1 -0.7634 -3.5291 1.2331 H 1 noname 0.0657 30 H2 1.2575 -3.1634 3.4596 H 1 noname 0.0671 31 H3 -0.9007 -4.9984 3.8451 H 1 noname 0.0662 32 H4 -0.1986 -0.8214 2.3331 H 1 noname 0.0809 33 H5 -2.8895 -3.1971 4.3218 H 1 noname 0.0743 34 H6 -0.0454 -0.0833 4.5183 H 1 noname 0.1324 35 H7 -0.0999 -5.7396 1.4991 H 1 noname 0.2106 36 H8 2.0453 -3.0973 1.2329 H 1 noname 0.2107 37 H9 -2.1891 -5.6244 2.0509 H 1 noname 0.2107 38 H10 -1.2236 -4.5427 7.0294 H 1 noname 0.2214 39 H11 0.5611 -1.1951 6.6331 H 1 noname 0.0630 40 H12 0.0863 -2.7601 8.4462 H 1 noname 0.0623 41 H13 1.7367 -4.4763 8.9940 H 1 noname 0.0638 42 H14 4.7510 1.4222 1.7315 H 1 noname 0.1274 43 H15 3.4166 1.0199 0.9787 H 1 noname 0.1274 @BOND 1 1 24 1 2 2 26 1 3 3 17 1 4 3 18 1 5 14 4 1 6 4 35 1 7 15 5 1 8 5 36 1 9 16 6 1 10 6 37 1 11 7 19 1 12 7 38 1 13 8 19 2 14 17 9 1 15 9 20 1 16 9 34 1 17 10 20 1 18 10 23 2 19 11 12 2 20 11 21 1 21 12 23 1 22 13 23 1 23 13 42 1 24 13 43 1 25 14 15 1 26 14 16 1 27 14 29 1 28 15 17 1 29 15 30 1 30 16 18 1 31 16 31 1 32 17 32 1 33 18 19 1 34 18 33 1 35 20 21 2 36 21 22 1 37 22 24 2 38 22 25 1 39 24 26 1 40 25 27 2 41 25 39 1 42 26 28 2 43 27 28 1 44 27 40 1 45 28 41 1 @SUBSTRUCTURE 1 noname 1