@MOLECULE DB02608 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3053 -0.6874 1.4931 O.2 1 noname -0.1448 2 N1 -1.1923 -0.0430 0.5291 N.2 1 noname -0.0156 3 O2 -2.1416 0.0198 -0.3046 O.3 1 noname -0.1448 4 C1 -0.0863 0.6139 0.3094 C.2 1 noname 0.0354 5 C2 1.1207 0.1250 0.7953 C.2 1 noname 0.0298 6 C3 -0.1154 1.8026 -0.4105 C.2 1 noname 0.0298 7 C4 2.2987 0.8248 0.5613 C.2 1 noname -0.0203 8 C5 1.0626 2.5024 -0.6446 C.2 1 noname -0.0203 9 C6 2.2697 2.0135 -0.1587 C.2 1 noname -0.0078 10 C7 3.5070 2.7485 -0.4045 C.3 1 noname 0.1037 11 O3 3.7276 3.6707 0.6525 O.3 1 noname -0.3860 12 C8 4.6778 1.7662 -0.4770 C.3 1 noname 0.1056 13 N2 5.8431 2.4585 -0.7085 N.2 1 noname -0.2269 14 C9 4.4401 0.7725 -1.6158 C.3 1 noname 0.0686 15 C10 6.7999 2.3951 0.1319 C.2 1 noname 0.0181 16 O4 5.5268 -0.1391 -1.6831 O.3 1 noname -0.3939 17 O5 7.9186 3.0597 -0.0904 O.3 1 noname -0.2661 18 C11 6.6611 1.6042 1.3151 C.3 1 noname -0.0002 19 H1 1.1435 -0.8071 1.3599 H 1 noname 0.0647 20 H2 -1.0619 2.1860 -0.7916 H 1 noname 0.0647 21 H3 3.2452 0.4414 0.9423 H 1 noname 0.0627 22 H4 1.0398 3.4345 -1.2091 H 1 noname 0.0627 23 H5 3.3929 3.3368 -1.3149 H 1 noname 0.0675 24 H6 3.8975 3.1904 1.4661 H 1 noname 0.2110 25 H7 4.8563 1.2668 0.4753 H 1 noname 0.0607 26 H8 3.5693 0.1686 -1.3607 H 1 noname 0.0587 27 H9 4.4645 1.3239 -2.5557 H 1 noname 0.0587 28 H10 5.8045 -0.3721 -0.7942 H 1 noname 0.2101 29 H11 8.3208 3.2986 0.7479 H 1 noname 0.2195 30 H12 6.6921 0.5471 1.0512 H 1 noname 0.0317 31 H13 7.4767 1.8313 2.0017 H 1 noname 0.0317 32 H14 5.7088 1.8313 1.7943 H 1 noname 0.0317 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 2 8 7 9 2 9 8 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 12 13 1 14 12 14 1 15 13 15 2 16 14 16 1 17 15 17 1 18 15 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 8 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 14 26 1 27 14 27 1 28 16 28 1 29 17 29 1 30 18 30 1 31 18 31 1 32 18 32 1 @SUBSTRUCTURE 1 noname 1