@MOLECULE 86254474 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.4580 -3.3664 1.8708 O.3 1 noname -0.2505 2 O2 1.5433 -1.6110 0.8965 O.3 1 noname -0.1413 3 O3 -2.4917 -2.3825 3.4206 O.3 1 noname -0.2746 4 O4 3.4409 -1.2793 -0.3111 O.2 1 noname -0.2567 5 C1 0.5373 -1.1638 1.7202 C.2 1 noname 0.0474 6 C2 0.4911 0.2138 2.0571 C.2 1 noname -0.0085 7 C3 -0.4552 -2.0362 2.2139 C.2 1 noname 0.0624 8 C4 -1.5028 -1.5449 3.0003 C.2 1 noname 0.0332 9 C5 -0.5586 0.7038 2.8726 C.2 1 noname -0.0429 10 C6 -1.2612 -3.5230 0.6691 C.3 1 noname 0.0720 11 C7 -1.5524 -0.1796 3.3348 C.2 1 noname -0.0248 12 C8 1.5161 1.0586 1.5771 C.2 1 noname 0.0043 13 C9 -1.1896 -4.9033 0.1924 C.2 1 noname -0.0662 14 C10 -0.6523 -5.2901 -0.9970 C.2 1 noname -0.0717 15 C11 2.5436 0.5551 0.7609 C.2 1 noname 0.0665 16 C12 2.5374 -0.8056 0.4169 C.2 1 noname 0.1125 17 C13 -0.6327 -6.6796 -1.3849 C.3 1 noname -0.0441 18 C14 -0.0399 -4.4463 -2.0326 C.3 1 noname -0.0441 19 H1 -0.5983 1.6917 3.1331 H 1 noname 0.0630 20 H2 -0.9211 -2.7911 -0.0565 H 1 noname 0.0617 21 H3 -2.3313 -3.2682 0.7700 H 1 noname 0.0617 22 H4 -2.3076 0.1618 3.9310 H 1 noname 0.0651 23 H5 1.5189 2.0468 1.8290 H 1 noname 0.0632 24 H6 -1.5753 -5.6021 0.8049 H 1 noname 0.0599 25 H7 3.2820 1.1785 0.4216 H 1 noname 0.0686 26 H8 0.0021 -3.3602 -1.8457 H 1 noname 0.0276 27 H9 -0.5292 -4.6319 -2.9887 H 1 noname 0.0276 28 H10 -1.6538 -7.0580 -1.4325 H 1 noname 0.0276 29 H11 -0.1632 -6.7770 -2.3638 H 1 noname 0.0276 30 H12 -0.0663 -7.2537 -0.6516 H 1 noname 0.0276 31 H13 0.9678 -4.8288 -2.1950 H 1 noname 0.0276 32 H14 -3.1400 -1.8796 3.9565 H 1 noname 0.2183 @BOND 1 1 7 1 2 1 10 1 3 2 5 1 4 2 16 1 5 3 8 1 6 3 32 1 7 4 16 2 8 5 6 2 9 5 7 1 10 6 9 1 11 6 12 1 12 7 8 2 13 8 11 1 14 9 11 2 15 9 19 1 16 10 13 1 17 10 20 1 18 10 21 1 19 11 22 1 20 12 15 2 21 12 23 1 22 13 14 2 23 13 24 1 24 14 17 1 25 14 18 1 26 15 16 1 27 15 25 1 28 17 28 1 29 17 29 1 30 17 30 1 31 18 26 1 32 18 27 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1