@MOLECULE DB02272 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.6320 -0.8136 3.1087 O.2 1 noname -0.2543 2 C1 -0.6474 -0.8004 2.3386 C.2 1 noname 0.1371 3 O2 0.6036 -0.7469 2.8433 O.3 1 noname -0.2177 4 C2 -0.8504 -0.8429 0.8934 C.3 1 noname 0.0605 5 C3 -0.2759 0.3540 0.2859 C.2 1 noname -0.0277 6 C4 1.0280 0.4910 -0.1766 C.2 1 noname -0.0948 7 C5 -0.9352 1.5564 0.0681 C.2 1 noname -0.0353 8 N1 1.1590 1.7381 -0.6612 N.3 1 noname -0.0788 9 C6 2.0670 -0.5341 -0.1424 C.3 1 noname 0.0315 10 C7 -0.0027 2.4009 -0.5279 C.2 1 noname -0.1089 11 C8 -2.3225 1.8707 0.3968 C.3 1 noname -0.0170 12 N2 3.1980 -0.0553 0.6508 N.3 1 noname -0.3254 13 C9 -3.2206 1.5180 -0.7906 C.3 1 noname 0.0375 14 C10 -4.6079 1.8323 -0.4619 C.2 1 noname 0.1349 15 O3 -5.5120 1.6197 -1.2985 O.2 1 noname -0.2558 16 O4 -4.9143 2.3525 0.7456 O.3 1 noname -0.2188 17 H1 0.5621 -0.7487 3.8024 H 1 noname 0.2213 18 H2 -0.2772 -1.6915 0.5200 H 1 noname 0.0423 19 H3 -1.9263 -0.7956 0.7252 H 1 noname 0.0423 20 H4 2.0027 2.1195 -1.0645 H 1 noname 0.1519 21 H5 1.6483 -1.3883 0.3896 H 1 noname 0.0490 22 H6 2.4264 -0.6516 -1.1647 H 1 noname 0.0490 23 H7 -0.1594 3.4321 -0.8444 H 1 noname 0.0791 24 H8 -2.5923 1.2105 1.2211 H 1 noname 0.0322 25 H9 -2.3616 2.9519 0.5293 H 1 noname 0.0322 26 H10 3.9297 -0.6954 0.9248 H 1 noname 0.1187 27 H11 3.2476 0.9156 0.9248 H 1 noname 0.1187 28 H12 -2.9508 2.1782 -1.6149 H 1 noname 0.0376 29 H13 -3.1815 0.4367 -0.9231 H 1 noname 0.0376 30 H14 -5.0727 1.6406 1.3699 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 7 11 1 11 8 10 1 12 9 12 1 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 16 30 1 @SUBSTRUCTURE 1 noname 1