@MOLECULE 73555691 42 41 1 SMALL USER_CHARGES @ATOM 1 S1 -3.1136 5.6249 1.0946 S 1 noname 0.0274 2 O1 -4.6290 3.1113 -1.6218 O.3 1 noname -0.2061 3 O2 -6.0011 1.5301 -0.7915 O.2 1 noname -0.2541 4 O3 -4.5047 5.8582 2.0254 O.3 1 noname -0.1451 5 O4 -2.3585 7.0124 0.9131 O.2 1 noname -0.1603 6 O5 -2.1532 4.5907 1.8269 O.2 1 noname -0.1603 7 C1 -6.4996 -2.3578 -3.8522 C.3 1 noname -0.0533 8 C2 -6.2999 -3.2309 -5.0926 C.3 1 noname -0.0533 9 C3 -5.6830 -1.0721 -3.9966 C.3 1 noname -0.0528 10 C4 -7.1165 -4.5166 -4.9482 C.3 1 noname -0.0533 11 C5 -5.8827 -0.1990 -2.7562 C.3 1 noname -0.0439 12 C6 -6.9168 -5.3897 -6.1887 C.3 1 noname -0.0535 13 C7 -7.7334 -6.6755 -6.0442 C.3 1 noname -0.0561 14 C8 -5.0661 1.0868 -2.9006 C.3 1 noname 0.0337 15 C9 -7.5336 -7.5486 -7.2847 C.3 1 noname -0.0654 16 C10 -5.2567 1.9199 -1.7169 C.2 1 noname 0.1403 17 C11 -4.2658 3.6228 -0.3479 C.3 1 noname 0.0750 18 C12 -3.5739 4.9765 -0.5202 C.3 1 noname 0.1062 19 H1 -7.5557 -2.1079 -3.7500 H 1 noname 0.0266 20 H2 -6.1677 -2.9017 -2.9678 H 1 noname 0.0266 21 H3 -6.6318 -2.6871 -5.9770 H 1 noname 0.0266 22 H4 -5.2438 -3.4808 -5.1948 H 1 noname 0.0266 23 H5 -6.0149 -0.5282 -4.8810 H 1 noname 0.0267 24 H6 -4.6269 -1.3219 -4.0988 H 1 noname 0.0267 25 H7 -8.1726 -4.2668 -4.8460 H 1 noname 0.0266 26 H8 -6.7846 -5.0605 -4.0638 H 1 noname 0.0266 27 H9 -6.9388 0.0509 -2.6540 H 1 noname 0.0272 28 H10 -5.5508 -0.7428 -1.8718 H 1 noname 0.0272 29 H11 -7.2487 -4.8459 -7.0730 H 1 noname 0.0266 30 H12 -5.8607 -5.6396 -6.2909 H 1 noname 0.0266 31 H13 -8.7894 -6.4256 -5.9420 H 1 noname 0.0264 32 H14 -7.4015 -7.2193 -5.1598 H 1 noname 0.0264 33 H15 -5.3980 1.6306 -3.7850 H 1 noname 0.0372 34 H16 -4.0101 0.8369 -3.0028 H 1 noname 0.0372 35 H17 -8.1154 -8.4646 -7.1818 H 1 noname 0.0230 36 H18 -7.8656 -7.0047 -8.1691 H 1 noname 0.0230 37 H19 -6.4776 -7.7985 -7.3869 H 1 noname 0.0230 38 H20 -5.1605 3.7471 0.2622 H 1 noname 0.0587 39 H21 -3.5854 2.9268 0.1426 H 1 noname 0.0587 40 H22 -4.2544 5.6726 -1.0107 H 1 noname 0.0512 41 H23 -2.6792 4.8522 -1.1303 H 1 noname 0.0512 42 H24 -4.2498 6.1369 2.9297 H 1 noname 0.2384 @BOND 1 1 4 1 2 1 5 2 3 1 6 2 4 1 18 1 5 2 16 1 6 2 17 1 7 3 16 2 8 4 42 1 9 7 8 1 10 7 9 1 11 7 19 1 12 7 20 1 13 8 10 1 14 8 21 1 15 8 22 1 16 9 11 1 17 9 23 1 18 9 24 1 19 10 12 1 20 10 25 1 21 10 26 1 22 11 14 1 23 11 27 1 24 11 28 1 25 12 13 1 26 12 29 1 27 12 30 1 28 13 15 1 29 13 31 1 30 13 32 1 31 14 16 1 32 14 33 1 33 14 34 1 34 15 35 1 35 15 36 1 36 15 37 1 37 17 18 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1 @SUBSTRUCTURE 1 noname 1