@MOLECULE 56841657 40 41 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.2925 0.1661 1.8964 Cl 1 noname -0.0726 2 Cl2 -1.2567 5.0960 3.4580 Cl 1 noname -0.0726 3 S1 1.8590 3.2030 -0.7191 S.2 1 noname 0.1960 4 F1 0.8554 5.5765 -1.3428 F 1 noname -0.1630 5 F2 2.6901 4.9957 -2.4869 F 1 noname -0.1630 6 F3 0.7234 4.0386 -2.9645 F 1 noname -0.1630 7 F4 -3.7967 1.0488 7.1164 F 1 noname -0.1661 8 F5 -5.4349 2.3411 6.3048 F 1 noname -0.1661 9 F6 -3.6705 3.2749 7.3182 F 1 noname -0.1661 10 O1 2.7806 3.8576 0.4266 O.2 1 noname -0.2683 11 N1 -1.3003 2.5452 1.5633 N.3 1 noname 0.0320 12 N2 0.9523 3.1973 2.3912 N.3 1 noname -0.1074 13 N3 -1.7558 2.1599 0.3997 N.2 1 noname -0.2826 14 N4 -1.0893 1.6892 -2.8825 N.1 1 noname -0.1680 15 C1 0.0179 2.8831 1.4430 C.2 1 noname 0.0301 16 C2 0.3255 2.7909 0.0942 C.2 1 noname 0.0591 17 C3 -2.0614 2.5411 2.7087 C.2 1 noname 0.0500 18 C4 -0.8045 2.2743 -0.5251 C.2 1 noname 0.0905 19 C5 1.1556 2.6243 3.6807 C.3 1 noname 0.0217 20 C6 -2.9539 1.4483 2.9738 C.2 1 noname 0.0194 21 C7 -1.9503 3.5657 3.6871 C.2 1 noname 0.0194 22 C8 -3.3801 2.3232 5.2166 C.2 1 noname -0.0120 23 C9 -3.6290 1.3707 4.2024 C.2 1 noname 0.0090 24 C10 -2.4907 3.3793 4.9734 C.2 1 noname 0.0090 25 C11 2.2554 3.2744 4.3232 C.2 1 noname -0.0776 26 C12 1.5090 4.5411 -1.9596 C.3 1 noname 0.4547 27 C13 -4.0830 2.2456 6.5120 C.3 1 noname 0.4162 28 C14 2.6559 2.8725 5.6358 C.3 1 noname -0.0429 29 C15 -0.9581 1.9556 -1.7772 C.1 1 noname 0.1132 30 C16 2.9058 4.2529 3.6999 C.2 1 noname -0.0875 31 H1 1.8105 3.3436 1.9635 H 1 noname 0.1298 32 H2 0.2556 2.7537 4.2818 H 1 noname 0.0479 33 H3 1.3728 1.5613 3.5758 H 1 noname 0.0479 34 H4 -4.3013 0.6173 4.3444 H 1 noname 0.0645 35 H5 -2.2278 4.0531 5.7218 H 1 noname 0.0645 36 H6 1.8258 3.0134 6.3280 H 1 noname 0.0276 37 H7 2.9430 1.8211 5.6221 H 1 noname 0.0276 38 H8 3.5041 3.4766 5.9578 H 1 noname 0.0276 39 H9 2.6285 4.5311 2.7911 H 1 noname 0.0537 40 H10 3.6672 4.7030 4.1446 H 1 noname 0.0537 @BOND 1 1 20 1 2 2 21 1 3 3 10 2 4 3 16 1 5 3 26 1 6 4 26 1 7 5 26 1 8 6 26 1 9 7 27 1 10 8 27 1 11 9 27 1 12 11 13 1 13 11 15 1 14 11 17 1 15 12 15 1 16 12 19 1 17 12 31 1 18 13 18 2 19 14 29 3 20 15 16 2 21 16 18 1 22 17 20 2 23 17 21 1 24 18 29 1 25 19 25 1 26 19 32 1 27 19 33 1 28 20 23 1 29 21 24 2 30 22 23 2 31 22 24 1 32 22 27 1 33 23 34 1 34 24 35 1 35 25 28 1 36 25 30 2 37 28 36 1 38 28 37 1 39 28 38 1 40 30 39 1 41 30 40 1 @SUBSTRUCTURE 1 noname 1