@MOLECULE 86278245 31 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.0937 -1.7118 2.4215 Cl 1 noname -0.0780 2 Cl2 5.8514 -2.9874 0.5466 Cl 1 noname -0.0780 3 Cl3 5.1895 -0.2132 0.2340 Cl 1 noname -0.0780 4 O1 3.5461 -1.3887 -4.1928 O.3 1 noname -0.3415 5 O2 6.6899 0.3461 -3.1007 O.3 1 noname -0.3874 6 O3 5.5518 1.8055 -5.6580 O.3 1 noname -0.3873 7 O4 5.4600 -1.5448 -6.6972 O.3 1 noname -0.3849 8 O5 3.7798 -2.2276 -1.4913 O.3 1 noname -0.3458 9 O6 2.7779 -1.8519 -6.3704 O.3 1 noname -0.3656 10 O7 2.8942 -3.4388 0.2767 O.3 1 noname -0.3645 11 C1 5.4277 0.2982 -3.7495 C.3 1 noname 0.1112 12 C2 4.6963 -1.0210 -3.3648 C.3 1 noname 0.1128 13 C3 5.6296 0.4359 -5.2910 C.3 1 noname 0.1134 14 C4 4.7331 -0.4108 -6.2476 C.3 1 noname 0.1331 15 C5 3.4170 -0.8775 -5.5589 C.3 1 noname 0.1838 16 C6 4.2686 -0.9577 -1.8971 C.3 1 noname 0.0790 17 C7 3.3829 -2.1688 -0.1292 C.3 1 noname 0.2024 18 C8 4.5848 -1.7846 0.7361 C.3 1 noname 0.2403 19 H1 4.8280 1.1397 -3.4029 H 1 noname 0.0657 20 H2 5.4288 -1.8130 -3.5204 H 1 noname 0.0657 21 H3 6.6428 0.0872 -5.4909 H 1 noname 0.0658 22 H4 4.5112 0.1191 -7.1739 H 1 noname 0.0682 23 H5 2.8025 0.0187 -5.4743 H 1 noname 0.0949 24 H6 3.4828 -0.2114 -1.7795 H 1 noname 0.0596 25 H7 5.1248 -0.6839 -1.2807 H 1 noname 0.0596 26 H8 7.1504 1.1765 -3.3429 H 1 noname 0.2106 27 H9 6.2506 2.3091 -5.1907 H 1 noname 0.2106 28 H10 5.7226 -2.0909 -5.9270 H 1 noname 0.2108 29 H11 1.8879 -2.0455 -6.0086 H 1 noname 0.2134 30 H12 2.5972 -1.4226 -0.0116 H 1 noname 0.0967 31 H13 2.1244 -3.6849 -0.2776 H 1 noname 0.2134 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 12 1 5 4 15 1 6 11 5 1 7 5 26 1 8 13 6 1 9 6 27 1 10 14 7 1 11 7 28 1 12 8 16 1 13 8 17 1 14 15 9 1 15 9 29 1 16 10 17 1 17 10 31 1 18 11 12 1 19 11 13 1 20 11 19 1 21 12 16 1 22 12 20 1 23 13 14 1 24 13 21 1 25 14 15 1 26 14 22 1 27 15 23 1 28 16 24 1 29 16 25 1 30 17 18 1 31 17 30 1 @SUBSTRUCTURE 1 noname 1