@MOLECULE 57874766 31 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.6656 5.5491 -1.8299 Cl 1 noname -0.0583 2 O1 3.4061 0.3183 -1.0254 O.2 1 noname -0.2921 3 O2 2.7912 -2.0404 -0.4891 O.3 1 noname -0.2784 4 O3 4.0799 2.6218 -1.5737 O.3 1 noname -0.2688 5 O4 0.9209 6.2011 -0.9815 O.3 1 noname -0.2745 6 C1 -0.4948 1.6568 0.1114 C.3 1 noname 0.0570 7 C2 -0.1054 0.2217 0.1681 C.2 1 noname -0.0074 8 C3 0.5561 2.5848 -0.3668 C.2 1 noname 0.0042 9 C4 1.2172 -0.2305 -0.2126 C.2 1 noname -0.0036 10 C5 1.8679 2.1271 -0.7530 C.2 1 noname 0.0013 11 C6 2.2652 0.7065 -0.6935 C.2 1 noname 0.0755 12 C7 -1.0840 -0.7140 0.6213 C.2 1 noname -0.0667 13 C8 1.5596 -1.6148 -0.1359 C.2 1 noname 0.0331 14 C9 0.2266 3.9679 -0.4399 C.2 1 noname -0.0251 15 C10 -0.7277 -2.0938 0.6937 C.2 1 noname -0.0324 16 C11 2.8518 3.0514 -1.2133 C.2 1 noname 0.0716 17 C12 0.5741 -2.5380 0.3213 C.2 1 noname -0.0324 18 C13 1.2184 4.8866 -0.9041 C.2 1 noname 0.0501 19 C14 2.5187 4.4372 -1.2874 C.2 1 noname 0.0397 20 C15 -1.7130 -3.0664 1.1570 C.3 1 noname 0.0023 21 H1 -1.3858 1.7674 -0.5066 H 1 noname 0.0366 22 H2 -0.8970 1.9873 1.0690 H 1 noname 0.0366 23 H3 -2.0181 -0.4028 0.8876 H 1 noname 0.0628 24 H4 -0.6993 4.2969 -0.1663 H 1 noname 0.0653 25 H5 0.8040 -3.5299 0.3826 H 1 noname 0.0653 26 H6 -2.5805 -3.0472 0.4973 H 1 noname 0.0279 27 H7 -2.0224 -2.8152 2.1715 H 1 noname 0.0279 28 H8 -1.2718 -4.0631 1.1480 H 1 noname 0.0279 29 H9 2.8466 -3.0119 -0.3734 H 1 noname 0.2182 30 H10 4.6217 3.3858 -1.8617 H 1 noname 0.2182 31 H11 -0.0021 6.3452 -0.6856 H 1 noname 0.2182 @BOND 1 1 19 1 2 2 11 2 3 3 13 1 4 3 29 1 5 4 16 1 6 4 30 1 7 5 18 1 8 5 31 1 9 6 7 1 10 6 8 1 11 6 21 1 12 6 22 1 13 7 9 2 14 7 12 1 15 8 10 1 16 8 14 2 17 9 11 1 18 9 13 1 19 10 11 1 20 10 16 2 21 12 15 2 22 12 23 1 23 13 17 2 24 14 18 1 25 14 24 1 26 15 17 1 27 15 20 1 28 16 19 1 29 17 25 1 30 18 19 2 31 20 26 1 32 20 27 1 33 20 28 1 @SUBSTRUCTURE 1 noname 1