@MOLECULE 91864525 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 -6.2956 -4.6946 0.5463 Cl 1 noname -0.0803 2 O1 -1.1349 -0.7764 1.6430 O.2 1 noname -0.2777 3 O2 3.4542 3.5140 -1.2493 O.3 1 noname -0.2192 4 O3 4.4972 2.0034 0.0556 O.2 1 noname -0.2600 5 N1 -0.9678 -0.9167 -0.5899 N.3 1 noname -0.1362 6 C1 0.1121 -0.1234 -0.5859 C.2 1 noname 0.0024 7 C2 -2.6957 -2.0499 0.5594 C.2 1 noname -0.0072 8 C3 0.9660 -0.1173 0.5108 C.2 1 noname -0.0179 9 C4 0.3784 0.6935 -1.6786 C.2 1 noname -0.0179 10 C5 -1.5755 -1.2270 0.5635 C.2 1 noname 0.0846 11 C6 2.3525 1.5225 -0.5778 C.2 1 noname -0.0044 12 C7 2.0862 0.7056 0.5149 C.2 1 noname 0.0020 13 C8 1.4986 1.5164 -1.6745 C.2 1 noname 0.0020 14 C9 -3.3260 -2.3718 1.7557 C.2 1 noname -0.0017 15 C10 -3.1856 -2.5510 -0.6410 C.2 1 noname -0.0017 16 C11 -4.4462 -3.1947 1.7516 C.2 1 noname -0.0121 17 C12 -4.3058 -3.3739 -0.6451 C.2 1 noname -0.0121 18 C13 -4.9361 -3.6958 0.5512 C.2 1 noname 0.0081 19 C14 3.4727 2.3454 -0.5737 C.2 1 noname 0.0825 20 H1 -1.3097 -1.2664 -1.4276 H 1 noname 0.1374 21 H2 0.7706 -0.7167 1.3127 H 1 noname 0.0639 22 H3 -0.2483 0.6890 -2.4834 H 1 noname 0.0639 23 H4 2.7128 0.7101 1.3197 H 1 noname 0.0631 24 H5 1.6940 2.1158 -2.4763 H 1 noname 0.0631 25 H6 -2.9665 -2.0041 2.6366 H 1 noname 0.0631 26 H7 -2.7231 -2.3148 -1.5189 H 1 noname 0.0631 27 H8 -4.9087 -3.4309 2.6295 H 1 noname 0.0638 28 H9 -4.6653 -3.7416 -1.5260 H 1 noname 0.0638 29 H10 4.2838 3.8757 -1.6255 H 1 noname 0.2216 @BOND 1 1 18 1 2 2 10 2 3 3 19 1 4 3 29 1 5 4 19 2 6 5 6 1 7 5 10 1 8 5 20 1 9 6 8 2 10 6 9 1 11 7 10 1 12 7 14 2 13 7 15 1 14 8 12 1 15 8 21 1 16 9 13 2 17 9 22 1 18 11 12 2 19 11 13 1 20 11 19 1 21 12 23 1 22 13 24 1 23 14 16 1 24 14 25 1 25 15 17 2 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 @SUBSTRUCTURE 1 noname 1