@MOLECULE DB06902 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.1320 -1.3419 -1.3997 O.3 1 noname -0.2866 2 C1 0.6499 -0.1621 -0.9969 C.2 1 noname -0.0046 3 C2 0.9606 0.0393 0.3429 C.2 1 noname -0.0319 4 C3 0.8726 0.8513 -1.9219 C.2 1 noname -0.0319 5 C4 1.4939 1.2541 0.7577 C.2 1 noname -0.0477 6 C5 1.4059 2.0660 -1.5071 C.2 1 noname -0.0477 7 C6 1.7165 2.2674 -0.1673 C.2 1 noname -0.0637 8 C7 2.2767 3.5434 0.2684 C.3 1 noname 0.0417 9 C8 1.1932 4.4505 0.6356 C.2 1 noname -0.0520 10 C9 3.0922 4.1580 -0.8710 C.3 1 noname -0.0517 11 C10 3.1835 3.3153 1.4794 C.3 1 noname -0.0517 12 C11 1.4831 5.7337 1.0844 C.2 1 noname -0.0577 13 C12 -0.1282 4.0309 0.5365 C.2 1 noname -0.0577 14 C13 0.4516 6.5973 1.4341 C.2 1 noname -0.0613 15 C14 -1.1598 4.8945 0.8862 C.2 1 noname -0.0613 16 C15 -0.8698 6.1777 1.3350 C.2 1 noname -0.0648 17 H1 -0.0993 -1.8689 -0.6314 H 1 noname 0.2181 18 H2 0.7860 -0.7553 1.0683 H 1 noname 0.0650 19 H3 0.6290 0.6933 -2.9725 H 1 noname 0.0650 20 H4 1.7374 1.4120 1.8083 H 1 noname 0.0626 21 H5 1.5805 2.8607 -2.2325 H 1 noname 0.0626 22 H6 3.5261 3.3628 -1.4772 H 1 noname 0.0243 23 H7 2.4421 4.7745 -1.4917 H 1 noname 0.0243 24 H8 3.8894 4.7745 -0.4557 H 1 noname 0.0243 25 H9 3.3070 2.2450 1.6443 H 1 noname 0.0243 26 H10 4.1571 3.7693 1.2948 H 1 noname 0.0243 27 H11 2.7324 3.7693 2.3617 H 1 noname 0.0243 28 H12 2.5194 6.0627 1.1621 H 1 noname 0.0625 29 H13 -0.3556 3.0246 0.1846 H 1 noname 0.0625 30 H14 0.6790 7.6036 1.7860 H 1 noname 0.0622 31 H15 -2.1960 4.5654 0.8085 H 1 noname 0.0622 32 H16 -1.6787 6.8549 1.6092 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 8 11 1 12 9 12 2 13 9 13 1 14 12 14 1 15 13 15 2 16 14 16 2 17 15 16 1 18 1 17 1 19 3 18 1 20 4 19 1 21 5 20 1 22 6 21 1 23 10 22 1 24 10 23 1 25 10 24 1 26 11 25 1 27 11 26 1 28 11 27 1 29 12 28 1 30 13 29 1 31 14 30 1 32 15 31 1 33 16 32 1 @SUBSTRUCTURE 1 noname 1