@MOLECULE 92284362 31 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.9744 0.5204 -1.2492 O.3 1 noname -0.3706 2 O2 -0.6732 2.9272 -1.7886 O.3 1 noname -0.1967 3 O3 1.1742 2.3061 -2.9171 O.2 1 noname -0.2443 4 C1 3.5965 -1.1526 -0.6366 C.3 1 noname -0.0209 5 C2 4.7299 -0.1321 -0.7592 C.3 1 noname -0.0514 6 C3 2.3025 -0.4336 -0.2499 C.3 1 noname 0.0500 7 C4 3.9501 -2.1805 0.4401 C.3 1 noname -0.0603 8 C5 6.0239 -0.8511 -1.1458 C.3 1 noname -0.0650 9 C6 0.7734 1.1877 -0.8904 C.3 1 noname 0.1325 10 C7 0.4360 2.1686 -1.9178 C.2 1 noname 0.1547 11 C8 -0.7092 4.2331 -2.3451 C.3 1 noname 0.0744 12 C9 -1.9807 4.8303 -2.0778 C.2 1 noname -0.0778 13 C10 -2.0514 5.9585 -1.3770 C.2 1 noname -0.0885 14 H1 3.4591 -1.6595 -1.5917 H 1 noname 0.0323 15 H2 4.4780 0.6002 -1.5263 H 1 noname 0.0267 16 H3 4.8673 0.3748 0.1959 H 1 noname 0.0267 17 H4 1.4951 -1.1606 -0.1626 H 1 noname 0.0569 18 H5 2.4399 0.0733 0.7052 H 1 noname 0.0569 19 H6 3.1426 -2.9075 0.5275 H 1 noname 0.0234 20 H7 4.0875 -1.6736 1.3952 H 1 noname 0.0234 21 H8 4.8719 -2.6928 0.1647 H 1 noname 0.0234 22 H9 6.8313 -0.1241 -1.2332 H 1 noname 0.0230 23 H10 5.8865 -1.3580 -2.1010 H 1 noname 0.0230 24 H11 6.2758 -1.5835 -0.3788 H 1 noname 0.0230 25 H12 -0.0340 0.4607 -0.8030 H 1 noname 0.0676 26 H13 0.9108 1.6946 0.0647 H 1 noname 0.0676 27 H14 -0.5551 4.1732 -3.4225 H 1 noname 0.0618 28 H15 0.0784 4.8401 -1.8987 H 1 noname 0.0618 29 H16 -2.8084 4.4040 -2.4145 H 1 noname 0.0594 30 H17 -2.9316 6.3719 -1.1920 H 1 noname 0.0535 31 H18 -1.2237 6.3848 -1.0404 H 1 noname 0.0535 @BOND 1 1 6 1 2 1 9 1 3 2 10 1 4 2 11 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 14 1 10 5 8 1 11 5 15 1 12 5 16 1 13 6 17 1 14 6 18 1 15 7 19 1 16 7 20 1 17 7 21 1 18 8 22 1 19 8 23 1 20 8 24 1 21 9 10 1 22 9 25 1 23 9 26 1 24 11 12 1 25 11 27 1 26 11 28 1 27 12 13 2 28 12 29 1 29 13 30 1 30 13 31 1 @SUBSTRUCTURE 1 noname 1