@MOLECULE 117587604 30 30 1 SMALL USER_CHARGES @ATOM 1 S1 0.6608 3.6516 0.6958 S 1 noname 0.0311 2 O1 -4.2567 -0.1832 0.2802 O.3 1 noname -0.2859 3 O2 -0.7224 3.9748 -0.2197 O.3 1 noname -0.0897 4 O3 0.5295 4.4082 2.2013 O.3 1 noname -0.1148 5 O4 1.9419 4.2055 -0.0658 O.2 1 noname -0.1259 6 O5 0.8047 2.0816 0.9025 O.2 1 noname -0.1259 7 C1 -4.4390 1.9247 2.1090 C.3 1 noname 0.0289 8 C2 -3.4404 1.9099 1.0441 C.2 1 noname -0.0094 9 C3 -3.8645 1.2503 3.3564 C.3 1 noname -0.0560 10 C4 -4.8126 3.3715 2.4378 C.3 1 noname -0.0560 11 C5 -5.6866 1.1679 1.6488 C.3 1 noname -0.0560 12 C6 -3.3860 0.8411 0.1571 C.2 1 noname 0.0035 13 C7 -2.5439 2.9646 0.9173 C.2 1 noname 0.0034 14 C8 -1.5931 2.9505 -0.0966 C.2 1 noname 0.0014 15 C9 -2.4353 0.8270 -0.8568 C.2 1 noname -0.0163 16 C10 -1.5388 1.8817 -0.9836 C.2 1 noname -0.0021 17 H1 -6.4321 1.1789 2.4439 H 1 noname 0.0239 18 H2 -6.0959 1.6484 0.7602 H 1 noname 0.0239 19 H3 -4.6101 1.2614 4.1514 H 1 noname 0.0239 20 H4 -3.5984 0.2196 3.1222 H 1 noname 0.0239 21 H5 -2.9758 1.7895 3.6842 H 1 noname 0.0239 22 H6 -5.5582 3.3826 3.2328 H 1 noname 0.0239 23 H7 -5.2219 3.8520 1.5491 H 1 noname 0.0239 24 H8 -3.9238 3.9107 2.7656 H 1 noname 0.0239 25 H9 -5.4204 0.1371 1.4146 H 1 noname 0.0239 26 H10 -2.5837 3.7489 1.5682 H 1 noname 0.0654 27 H11 -2.3954 0.0427 -1.5077 H 1 noname 0.0651 28 H12 -0.8411 1.8714 -1.7276 H 1 noname 0.0651 29 H13 -4.0817 -0.8466 -0.4195 H 1 noname 0.2182 30 H14 0.3604 5.3649 2.0724 H 1 noname 0.2408 @BOND 1 1 3 1 2 1 4 1 3 1 5 2 4 1 6 2 5 2 12 1 6 2 29 1 7 3 14 1 8 4 30 1 9 7 8 1 10 7 9 1 11 7 10 1 12 7 11 1 13 8 12 2 14 8 13 1 15 9 19 1 16 9 20 1 17 9 21 1 18 10 22 1 19 10 23 1 20 10 24 1 21 11 17 1 22 11 18 1 23 11 25 1 24 12 15 1 25 13 14 2 26 13 26 1 27 14 16 1 28 15 16 2 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1