@MOLECULE 91826982 41 42 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.8773 1.8801 0.0943 Cl 1 noname -0.0806 2 S1 -0.8838 -4.2890 -3.7995 S.3 1 noname -0.1712 3 O1 -0.5993 1.5997 0.2983 O.3 1 noname -0.2033 4 O2 -1.6923 -0.1319 1.2361 O.2 1 noname -0.2463 5 O3 -5.1353 -5.7116 -4.7455 O.3 1 noname -0.2211 6 O4 -3.1835 -5.8103 -3.6260 O.2 1 noname -0.2622 7 N1 -2.6860 -1.2817 -1.2198 N.3 1 noname -0.2836 8 C1 -2.1382 -2.4237 -0.4078 C.3 1 noname 0.0010 9 C2 -1.2540 -3.4156 -1.2178 C.3 1 noname -0.0247 10 C3 -3.3052 -1.7287 -2.5363 C.3 1 noname 0.0221 11 C4 -2.0281 -4.0179 -2.4367 C.3 1 noname 0.0257 12 C5 -1.8313 -0.0233 -1.2073 C.3 1 noname 0.1237 13 C6 -3.2888 -3.2470 -2.9586 C.2 1 noname -0.0024 14 C7 -2.4210 1.1005 -2.0492 C.2 1 noname -0.0097 15 C8 -1.3609 0.4892 0.2031 C.2 1 noname 0.1505 16 C9 -4.2473 -3.8161 -3.6841 C.2 1 noname 0.0613 17 C10 -3.4044 2.0140 -1.5195 C.2 1 noname -0.0009 18 C11 -2.0452 1.2104 -3.4409 C.2 1 noname -0.0392 19 C12 -4.1624 -5.1339 -4.0091 C.2 1 noname 0.0920 20 C13 -3.9825 3.0273 -2.3373 C.2 1 noname -0.0247 21 C14 -2.6245 2.2051 -4.2769 C.2 1 noname -0.0553 22 C15 -3.5838 3.1045 -3.7076 C.2 1 noname -0.0508 23 C16 0.3297 1.7344 1.3637 C.3 1 noname 0.0454 24 H1 -2.9612 -2.9668 0.0568 H 1 noname 0.0431 25 H2 -1.5311 -2.0198 0.4023 H 1 noname 0.0431 26 H3 -0.9208 -4.2220 -0.5646 H 1 noname 0.0294 27 H4 -0.4195 -2.8422 -1.6214 H 1 noname 0.0294 28 H5 -4.3217 -1.3422 -2.6095 H 1 noname 0.0478 29 H6 -2.8678 -1.1400 -3.3427 H 1 noname 0.0478 30 H7 -2.4227 -4.9953 -2.1592 H 1 noname 0.0461 31 H8 -0.8710 -0.3134 -1.6449 H 1 noname 0.0629 32 H9 -5.0226 -3.2804 -3.9875 H 1 noname 0.0686 33 H10 -0.3202 -3.1051 -4.1606 H 1 noname 0.1028 34 H11 -1.3558 0.5663 -3.8284 H 1 noname 0.0626 35 H12 -4.6646 3.6818 -1.9542 H 1 noname 0.0638 36 H13 -2.3626 2.2766 -5.2601 H 1 noname 0.0622 37 H14 -3.9963 3.8246 -4.3007 H 1 noname 0.0623 38 H15 0.8487 2.6888 1.2748 H 1 noname 0.0536 39 H16 -0.2007 1.6965 2.3152 H 1 noname 0.0536 40 H17 1.0542 0.9213 1.3190 H 1 noname 0.0536 41 H18 -4.9207 -6.4610 -5.3394 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