@MOLECULE DB03567 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -2.4277 -1.7999 -1.6974 O.2 1 noname -0.2973 2 C1 -1.7928 -1.3347 -0.7263 C.2 1 noname 0.0386 3 N1 -0.7424 -0.5297 -0.9362 N.3 1 noname -0.0737 4 C2 -2.1958 -1.6686 0.6367 C.3 1 noname 0.0095 5 C3 0.0030 0.0164 0.2039 C.3 1 noname 0.0934 6 C4 1.1804 -0.9147 0.6403 C.3 1 noname 0.1733 7 C5 0.4458 1.4532 -0.1905 C.3 1 noname 0.1032 8 O2 2.3850 -0.1862 1.0127 O.3 1 noname -0.3425 9 O3 1.4812 -1.8213 -0.4104 O.3 1 noname -0.3664 10 O4 0.3605 2.3030 0.9439 O.3 1 noname -0.3883 11 C6 1.8558 1.5717 -0.8195 C.3 1 noname 0.1102 12 C7 2.8894 0.7753 0.0312 C.3 1 noname 0.1123 13 O5 2.2378 2.9384 -0.8708 O.3 1 noname -0.3874 14 C8 3.8449 1.7525 0.7190 C.3 1 noname 0.0722 15 O6 4.9335 1.0341 1.2805 O.3 1 noname -0.3934 16 H1 -0.5236 -0.3439 -1.9045 H 1 noname 0.1316 17 H2 -2.2295 -2.7521 0.7506 H 1 noname 0.0324 18 H3 -1.4760 -1.2515 1.3409 H 1 noname 0.0324 19 H4 -3.1829 -1.2515 0.8363 H 1 noname 0.0324 20 H5 -0.6759 0.0477 1.0561 H 1 noname 0.0550 21 H6 0.9221 -1.5074 1.5178 H 1 noname 0.0938 22 H7 -0.2692 1.8330 -0.9203 H 1 noname 0.0647 23 H8 1.3900 -2.7222 -0.0916 H 1 noname 0.2133 24 H9 0.3007 1.7694 1.7397 H 1 noname 0.2106 25 H10 1.8517 1.2430 -1.8587 H 1 noname 0.0656 26 H11 3.3810 0.0902 -0.6596 H 1 noname 0.0657 27 H12 2.3327 3.2779 0.0221 H 1 noname 0.2106 28 H13 4.2829 2.3922 -0.0472 H 1 noname 0.0591 29 H14 3.3218 2.1965 1.5659 H 1 noname 0.0591 30 H15 4.8801 1.0693 2.2383 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 5 3 1 5 5 6 1 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 1 10 7 11 1 11 8 12 1 12 11 13 1 13 11 12 1 14 12 14 1 15 14 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 6 21 1 22 7 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1