@MOLECULE DB02787 34 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.5556 -2.3733 1.3782 O.3 1 noname -0.3874 2 C1 1.2155 -1.6306 0.3637 C.3 1 noname 0.1097 3 C2 1.4592 -0.2020 0.8543 C.3 1 noname 0.1002 4 C3 2.5553 -2.2929 0.0364 C.3 1 noname 0.1056 5 O2 0.2157 0.4127 1.1580 O.3 1 noname -0.3885 6 C4 2.1702 0.5984 -0.2388 C.3 1 noname 0.0609 7 O3 2.3292 -3.6188 -0.4189 O.3 1 noname -0.3878 8 C5 3.4278 -2.3269 1.2929 C.3 1 noname 0.0718 9 N1 2.4030 1.9634 0.2300 N.3 1 noname -0.2848 10 C6 1.2978 0.6324 -1.4952 C.3 1 noname 0.0612 11 O4 4.6713 -2.9416 0.9891 O.3 1 noname -0.3934 12 C7 3.2366 1.9309 1.4306 C.3 1 noname 0.1021 13 O5 1.9577 1.3752 -2.5097 O.3 1 noname -0.3945 14 O6 3.4628 3.2568 1.8859 O.3 1 noname -0.3788 15 C8 2.5256 1.1306 2.5237 C.3 1 noname -0.0253 16 H1 0.6650 -3.3121 1.2099 H 1 noname 0.2106 17 H2 0.5430 -1.6477 -0.4940 H 1 noname 0.0656 18 H3 2.0243 -0.1921 1.7863 H 1 noname 0.0646 19 H4 3.0603 -1.7849 -0.7852 H 1 noname 0.0652 20 H5 0.1090 0.4655 2.1106 H 1 noname 0.2106 21 H6 3.1460 0.1657 -0.4595 H 1 noname 0.0517 22 H7 2.2295 -4.2036 0.3358 H 1 noname 0.2106 23 H8 3.6699 -1.2993 1.5638 H 1 noname 0.0591 24 H9 2.9485 -2.9835 2.0190 H 1 noname 0.0591 25 H10 2.0435 2.7996 -0.2078 H 1 noname 0.1252 26 H11 1.2223 -0.3840 -1.8815 H 1 noname 0.0580 27 H12 0.3939 1.1959 -1.2635 H 1 noname 0.0580 28 H13 5.1250 -3.1660 1.8048 H 1 noname 0.2101 29 H14 4.2121 1.5180 1.1733 H 1 noname 0.0771 30 H15 2.3645 0.7712 -3.1352 H 1 noname 0.2100 31 H16 3.4649 3.2695 2.8458 H 1 noname 0.2121 32 H17 2.6499 0.0647 2.3326 H 1 noname 0.0270 33 H18 2.9562 1.3784 3.4938 H 1 noname 0.0270 34 H19 1.4642 1.3784 2.5233 H 1 noname 0.0270 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 6 9 1 9 6 10 1 10 8 11 1 11 9 12 1 12 10 13 1 13 12 14 1 14 12 15 1 15 1 16 1 16 2 17 1 17 3 18 1 18 4 19 1 19 5 20 1 20 6 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 12 29 1 29 13 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 15 34 1 @SUBSTRUCTURE 1 noname 1