@MOLECULE DB07079 34 34 1 SMALL USER_CHARGES @ATOM 1 S1 -0.5753 -1.3728 0.1136 S 1 noname -0.0342 2 O1 -0.0255 -2.5953 0.9689 O.2 1 noname -0.1963 3 O2 -1.5392 -1.9159 -1.0284 O.2 1 noname -0.1963 4 C1 0.7525 -0.5287 -0.6056 C.2 1 noname 0.0012 5 C2 -1.4882 -0.2523 1.1866 C.3 1 noname 0.0626 6 C3 1.3590 0.5210 0.0744 C.2 1 noname 0.0235 7 C4 1.2129 -0.9003 -1.8634 C.2 1 noname 0.0235 8 C5 -2.2912 -1.0631 2.2057 C.3 1 noname -0.0276 9 C6 2.4258 1.1992 -0.5035 C.2 1 noname -0.0056 10 C7 2.2798 -0.2221 -2.4412 C.2 1 noname -0.0056 11 C8 -3.0671 -0.1107 3.1177 C.3 1 noname -0.0085 12 C9 2.8863 0.8277 -1.7613 C.2 1 noname 0.0336 13 S2 -4.0119 -1.0646 4.3167 S.3 1 noname -0.1792 14 O3 3.9224 1.4863 -2.3225 O.3 1 noname -0.2626 15 C10 3.4314 2.5781 -3.0863 C.3 1 noname 0.1140 16 C11 4.4768 3.2426 -3.6526 C.1 1 noname -0.0847 17 C12 5.3932 3.8252 -4.1489 C.1 1 noname -0.0938 18 C13 6.4386 4.4897 -4.7152 C.3 1 noname -0.0026 19 H1 -0.7877 0.3166 1.7980 H 1 noname 0.0467 20 H2 -2.2505 0.2666 0.6055 H 1 noname 0.0467 21 H3 0.9979 0.8124 1.0607 H 1 noname 0.0639 22 H4 0.7374 -1.7235 -2.3965 H 1 noname 0.0639 23 H5 -3.0310 -1.6320 1.6425 H 1 noname 0.0288 24 H6 -1.5682 -1.5821 2.8350 H 1 noname 0.0288 25 H7 2.9014 2.0224 0.0297 H 1 noname 0.0650 26 H8 2.6409 -0.5135 -3.4276 H 1 noname 0.0650 27 H9 -2.2882 0.4511 3.6331 H 1 noname 0.0378 28 H10 -3.7510 0.4012 2.4407 H 1 noname 0.0378 29 H11 -3.6595 -0.7088 5.5380 H 1 noname 0.1021 30 H12 2.8531 2.1657 -3.9131 H 1 noname 0.0712 31 H13 2.9676 3.2803 -2.3936 H 1 noname 0.0712 32 H14 7.0780 4.8962 -3.9316 H 1 noname 0.0365 33 H15 7.0147 3.8013 -5.3335 H 1 noname 0.0365 34 H16 6.0598 5.3035 -5.3335 H 1 noname 0.0365 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 2 6 4 7 1 7 5 8 1 8 6 9 1 9 7 10 2 10 8 11 1 11 9 12 2 12 10 12 1 13 11 13 1 14 12 14 1 15 14 15 1 16 15 16 1 17 16 17 3 18 17 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 7 22 1 23 8 23 1 24 8 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 13 29 1 30 15 30 1 31 15 31 1 32 18 32 1 33 18 33 1 34 18 34 1 @SUBSTRUCTURE 1 noname 1