@MOLECULE 71712269 41 42 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.3537 -3.6853 0.1512 Cl 1 noname -0.0806 2 S1 -0.7640 -4.2349 -3.7159 S.3 1 noname -0.1712 3 O1 -1.6430 -5.1649 3.3490 O.3 1 noname -0.2033 4 O2 -3.5213 -4.5890 2.2478 O.2 1 noname -0.2463 5 O3 -2.1735 -7.7489 -3.3365 O.3 1 noname -0.2211 6 O4 -1.7420 -5.6480 -4.0237 O.2 1 noname -0.2622 7 N1 -2.2445 -3.0139 0.1911 N.3 1 noname -0.2836 8 C1 -1.5155 -2.0707 -0.7553 C.3 1 noname 0.0010 9 C2 -1.7978 -2.1093 -2.3053 C.3 1 noname -0.0247 10 C3 -3.2441 -3.8945 -0.5081 C.3 1 noname 0.0221 11 C4 -2.1673 -3.5396 -2.8286 C.3 1 noname 0.0257 12 C5 -1.4485 -3.7014 1.2902 C.3 1 noname 0.1237 13 C6 -2.6983 -4.5842 -1.7919 C.2 1 noname -0.0024 14 C7 -0.4445 -2.7738 1.9618 C.2 1 noname -0.0097 15 C8 -2.2765 -4.5257 2.3428 C.2 1 noname 0.1505 16 C9 -2.6850 -5.9001 -1.9843 C.2 1 noname 0.0613 17 C10 0.9010 -2.6943 1.4392 C.2 1 noname -0.0009 18 C11 -0.8176 -1.9125 3.0579 C.2 1 noname -0.0392 19 C12 -2.1870 -6.4132 -3.1412 C.2 1 noname 0.0920 20 C13 1.8485 -1.7913 1.9968 C.2 1 noname -0.0247 21 C14 0.1227 -1.0142 3.6400 C.2 1 noname -0.0553 22 C15 1.4435 -0.9664 3.0962 C.2 1 noname -0.0508 23 C16 -2.2982 -5.3529 4.5947 C.3 1 noname 0.0454 24 H1 -1.6121 -1.0470 -0.3937 H 1 noname 0.0431 25 H2 -0.4625 -2.3046 -0.5983 H 1 noname 0.0431 26 H3 -2.6034 -1.4153 -2.5452 H 1 noname 0.0294 27 H4 -0.9353 -1.7254 -2.8500 H 1 noname 0.0294 28 H5 -4.1302 -3.3110 -0.7578 H 1 noname 0.0478 29 H6 -3.5750 -4.6756 0.1764 H 1 noname 0.0478 30 H7 -2.9288 -3.4599 -3.6044 H 1 noname 0.0461 31 H8 -0.8958 -4.5065 0.7960 H 1 noname 0.0629 32 H9 -3.0374 -6.5062 -1.2853 H 1 noname 0.0686 33 H10 0.3044 -4.3205 -2.8787 H 1 noname 0.1028 34 H11 -1.7698 -1.9473 3.4217 H 1 noname 0.0626 35 H12 2.7953 -1.7324 1.6222 H 1 noname 0.0638 36 H13 -0.1405 -0.4197 4.4258 H 1 noname 0.0622 37 H14 2.1213 -0.3228 3.5048 H 1 noname 0.0623 38 H15 -1.6352 -5.8844 5.2774 H 1 noname 0.0536 39 H16 -3.2067 -5.9358 4.4431 H 1 noname 0.0536 40 H17 -2.5557 -4.3828 5.0198 H 1 noname 0.0536 41 H18 -1.4764 -8.1558 -3.8923 H 1 noname 0.2216 @BOND 1 1 17 1 2 11 2 1 3 2 33 1 4 3 15 1 5 3 23 1 6 4 15 2 7 5 19 1 8 5 41 1 9 6 19 2 10 7 8 1 11 7 10 1 12 7 12 1 13 8 9 1 14 8 24 1 15 8 25 1 16 9 11 1 17 9 26 1 18 9 27 1 19 10 13 1 20 10 28 1 21 10 29 1 22 11 13 1 23 11 30 1 24 12 14 1 25 12 15 1 26 12 31 1 27 13 16 2 28 14 17 1 29 14 18 2 30 16 19 1 31 16 32 1 32 17 20 2 33 18 21 1 34 18 34 1 35 20 22 1 36 20 35 1 37 21 22 2 38 21 36 1 39 22 37 1 40 23 38 1 41 23 39 1 42 23 40 1 @SUBSTRUCTURE 1 noname 1