@MOLECULE 71434435 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.6960 2.9228 1.6880 Cl 1 noname 0.0316 2 S1 1.2780 1.1615 3.8757 S.2 1 noname -0.0177 3 P1 1.4539 1.4815 1.9651 P 1 noname -0.0199 4 O1 0.0140 1.8187 1.3397 O.3 1 noname -0.1988 5 O2 1.9953 0.1963 1.1856 O.3 1 noname -0.1992 6 C1 -0.0039 -0.1006 -0.2930 C.3 1 noname 0.0132 7 C2 -0.7404 0.6699 0.8804 C.3 1 noname 0.0779 8 C3 -1.2522 -0.1855 2.0832 C.3 1 noname -0.0165 9 C4 -0.4695 -1.5708 -0.4939 C.3 1 noname -0.0454 10 C5 -1.8190 -1.5602 1.6824 C.3 1 noname -0.0482 11 C6 1.5727 0.0659 -0.1993 C.3 1 noname 0.0726 12 C7 -0.7898 -2.3388 0.8172 C.3 1 noname -0.0525 13 C8 -2.3163 0.6006 2.8518 C.3 1 noname -0.0600 14 C9 2.1804 1.1161 -1.1607 C.3 1 noname -0.0374 15 H1 -0.3482 0.3508 -1.2285 H 1 noname 0.0356 16 H2 -1.6720 1.0613 0.4742 H 1 noname 0.0619 17 H3 -0.3796 -0.3870 2.7046 H 1 noname 0.0326 18 H4 -1.3410 -1.5898 -1.1482 H 1 noname 0.0271 19 H5 0.2906 -2.1156 -1.0539 H 1 noname 0.0271 20 H6 -2.7398 -1.4223 1.1156 H 1 noname 0.0270 21 H7 -2.0585 -2.1123 2.5913 H 1 noname 0.0270 22 H8 2.0678 -0.8317 -0.5624 H 1 noname 0.0613 23 H9 -1.1906 -3.3227 0.5732 H 1 noname 0.0267 24 H10 0.1188 -2.4405 1.4107 H 1 noname 0.0267 25 H11 -2.6734 0.0038 3.6911 H 1 noname 0.0234 26 H12 -3.1499 0.8288 2.1875 H 1 noname 0.0234 27 H13 -1.8838 1.5292 3.2242 H 1 noname 0.0234 28 H14 1.8096 0.9417 -2.1707 H 1 noname 0.0257 29 H15 1.8925 2.1159 -0.8355 H 1 noname 0.0257 30 H16 3.2670 1.0303 -1.1527 H 1 noname 0.0257 @BOND 1 1 3 1 2 2 3 2 3 3 4 1 4 3 5 1 5 4 7 1 6 5 11 1 7 6 7 1 8 6 9 1 9 6 11 1 10 6 15 1 11 7 8 1 12 7 16 1 13 8 10 1 14 8 13 1 15 8 17 1 16 9 12 1 17 9 18 1 18 9 19 1 19 10 12 1 20 10 20 1 21 10 21 1 22 11 14 1 23 11 22 1 24 12 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 13 27 1 29 14 28 1 30 14 29 1 31 14 30 1 @SUBSTRUCTURE 1 noname 1