@MOLECULE 91810510 32 32 1 SMALL USER_CHARGES @ATOM 1 S1 -3.9125 4.4197 1.7749 S 1 noname -0.0431 2 O1 0.0879 0.8107 2.5417 O.3 1 noname -0.3870 3 O2 -4.1882 5.9751 1.5932 O.2 1 noname -0.1910 4 O3 -2.7523 4.2081 2.8413 O.2 1 noname -0.1910 5 N1 -3.4475 3.7577 0.3026 N.3 1 noname 0.0815 6 N2 1.0738 -1.7354 1.7701 N.3 1 noname -0.3168 7 C1 -0.2958 0.2331 1.3025 C.3 1 noname 0.0916 8 C2 -1.6430 0.6759 0.9555 C.2 1 noname -0.0398 9 C3 -0.2753 -1.2920 1.4226 C.3 1 noname 0.0253 10 C4 -1.9087 2.0304 0.7913 C.2 1 noname -0.0335 11 C5 -3.1914 2.4520 0.4609 C.2 1 noname -0.0206 12 C6 -2.6600 -0.2569 0.7894 C.2 1 noname -0.0616 13 C7 -4.2084 1.5191 0.2948 C.2 1 noname -0.0457 14 C8 -3.9427 0.1646 0.4591 C.2 1 noname -0.0561 15 C9 1.0934 -3.1928 1.8849 C.3 1 noname -0.0163 16 C10 -5.4122 3.6078 2.3509 C.3 1 noname 0.0605 17 H1 0.4010 0.5457 0.5248 H 1 noname 0.0665 18 H2 -0.9721 -1.6046 2.2004 H 1 noname 0.0458 19 H3 -0.5697 -1.7354 0.4714 H 1 noname 0.0458 20 H4 -1.1624 2.7149 0.9131 H 1 noname 0.0643 21 H5 -2.4650 -1.2508 0.9100 H 1 noname 0.0626 22 H6 -5.1496 1.8284 0.0524 H 1 noname 0.0639 23 H7 -2.6494 4.2074 -0.0165 H 1 noname 0.1502 24 H8 -4.6890 -0.5199 0.3372 H 1 noname 0.0623 25 H9 1.7271 -1.4423 1.0409 H 1 noname 0.1220 26 H10 -0.5386 0.5297 3.2410 H 1 noname 0.2109 27 H11 2.0992 -3.5234 2.1439 H 1 noname 0.0391 28 H12 0.3966 -3.5054 2.6626 H 1 noname 0.0391 29 H13 0.7989 -3.6361 0.9336 H 1 noname 0.0391 30 H14 -6.2833 4.1423 1.9718 H 1 noname 0.0440 31 H15 -5.4308 2.5798 1.9890 H 1 noname 0.0440 32 H16 -5.4308 3.6098 3.4408 H 1 noname 0.0440 @BOND 1 1 3 2 2 1 4 2 3 1 5 1 4 1 16 1 5 2 7 1 6 2 26 1 7 5 11 1 8 5 23 1 9 6 9 1 10 6 15 1 11 6 25 1 12 7 8 1 13 7 9 1 14 7 17 1 15 8 10 2 16 8 12 1 17 9 18 1 18 9 19 1 19 10 11 1 20 10 20 1 21 11 13 2 22 12 14 2 23 12 21 1 24 13 14 1 25 13 22 1 26 14 24 1 27 15 27 1 28 15 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 @SUBSTRUCTURE 1 noname 1