@MOLECULE 76963144 40 41 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.5145 -1.2047 -0.4709 Cl 1 noname -0.0733 2 Cl2 2.2052 3.5917 -2.2381 Cl 1 noname -0.0839 3 O1 -1.5723 -0.1206 1.7212 O.2 1 noname -0.2755 4 N1 -3.8340 -3.4077 2.4872 N.3 1 noname -0.3001 5 N2 -2.2273 0.1982 -0.4999 N.3 1 noname -0.1322 6 C1 -4.9076 -2.4630 3.0297 C.3 1 noname -0.0015 7 C2 -3.6018 -4.6672 3.3200 C.3 1 noname -0.0015 8 C3 -2.6073 -2.7152 1.9075 C.3 1 noname 0.0150 9 C4 -4.4684 -4.9146 4.5844 C.3 1 noname -0.0403 10 C5 -4.8837 -2.2767 4.5719 C.3 1 noname -0.0403 11 C6 -4.8899 -3.6235 5.3458 C.3 1 noname -0.0509 12 C7 -2.9788 -1.8300 0.6908 C.3 1 noname 0.0369 13 C8 -1.4494 -3.5826 1.3329 C.3 1 noname -0.0490 14 C9 -2.1933 -0.5211 0.7131 C.2 1 noname 0.1304 15 C10 -1.1551 0.8891 -0.9587 C.2 1 noname 0.0127 16 C11 0.1992 0.3806 -0.9542 C.2 1 noname 0.0196 17 C12 -1.4614 2.2217 -1.3931 C.2 1 noname -0.0176 18 C13 1.2620 1.2339 -1.3624 C.2 1 noname 0.0116 19 C14 -0.3973 3.0801 -1.7983 C.2 1 noname -0.0184 20 C15 0.9457 2.5714 -1.7704 C.2 1 noname -0.0054 21 H1 -5.8917 -2.8161 2.7216 H 1 noname 0.0430 22 H2 -4.7862 -1.4802 2.5742 H 1 noname 0.0430 23 H3 -3.6444 -5.5435 2.6732 H 1 noname 0.0430 24 H4 -2.5559 -4.6049 3.6208 H 1 noname 0.0430 25 H5 -2.1660 -2.1366 2.7256 H 1 noname 0.0469 26 H6 -5.7408 -1.6773 4.8788 H 1 noname 0.0279 27 H7 -3.9403 -1.7856 4.8107 H 1 noname 0.0279 28 H8 -5.3581 -5.4813 4.3099 H 1 noname 0.0279 29 H9 -3.9340 -5.5774 5.2649 H 1 noname 0.0279 30 H10 -5.8673 -3.7747 5.8041 H 1 noname 0.0267 31 H11 -4.1841 -3.4763 6.1634 H 1 noname 0.0267 32 H12 -4.0468 -1.6131 0.7119 H 1 noname 0.0377 33 H13 -2.8450 -2.3486 -0.2585 H 1 noname 0.0377 34 H14 -0.6574 -2.9318 0.9623 H 1 noname 0.0246 35 H15 -1.8269 -4.1971 0.5156 H 1 noname 0.0246 36 H16 -1.0532 -4.2261 2.1184 H 1 noname 0.0246 37 H17 -3.0444 0.1985 -1.0226 H 1 noname 0.1371 38 H18 -2.4268 2.5505 -1.4118 H 1 noname 0.0640 39 H19 2.2264 0.9019 -1.3646 H 1 noname 0.0654 40 H20 -0.5859 4.0355 -2.1016 H 1 noname 0.0638 @BOND 1 1 16 1 2 2 20 1 3 3 14 2 4 4 6 1 5 4 7 1 6 4 8 1 7 5 14 1 8 5 15 1 9 5 37 1 10 6 10 1 11 6 21 1 12 6 22 1 13 7 9 1 14 7 23 1 15 7 24 1 16 8 12 1 17 8 13 1 18 8 25 1 19 9 11 1 20 9 28 1 21 9 29 1 22 10 11 1 23 10 26 1 24 10 27 1 25 11 30 1 26 11 31 1 27 12 14 1 28 12 32 1 29 12 33 1 30 13 34 1 31 13 35 1 32 13 36 1 33 15 16 2 34 15 17 1 35 16 18 1 36 17 19 2 37 17 38 1 38 18 20 2 39 18 39 1 40 19 20 1 41 19 40 1 @SUBSTRUCTURE 1 noname 1