@MOLECULE DB03769 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 6.3407 -1.6049 0.5084 O.2 1 noname -0.2443 2 C1 5.1780 -2.0632 0.5283 C.2 1 noname 0.1512 3 O2 4.9445 -3.3296 0.1230 O.3 1 noname -0.2099 4 C2 4.0723 -1.2289 0.9899 C.3 1 noname 0.1666 5 O3 3.4549 -1.8403 2.1131 O.3 1 noname -0.3799 6 C3 3.0463 -1.0740 -0.1345 C.3 1 noname 0.1057 7 O4 3.6637 -0.4626 -1.2576 O.3 1 noname -0.3881 8 C4 1.8877 -0.1997 0.3493 C.3 1 noname 0.0482 9 N1 0.9422 -0.0569 -0.6869 N.3 1 noname 0.0141 10 C5 0.9193 0.9051 -1.6304 C.2 1 noname 0.1222 11 C6 -0.1169 -0.8562 -0.9285 C.2 1 noname -0.0434 12 N2 1.7658 1.9591 -1.8388 N.2 1 noname -0.2466 13 C7 -0.1593 0.6286 -2.4779 C.2 1 noname 0.0222 14 N3 -0.8175 -0.4346 -2.0052 N.2 1 noname -0.2195 15 C8 1.5677 2.7721 -2.9273 C.2 1 noname 0.0498 16 C9 -0.3504 1.4454 -3.6163 C.2 1 noname 0.0722 17 N4 0.5313 2.4812 -3.7934 N.2 1 noname -0.2594 18 N5 -1.3471 1.2179 -4.4825 N.3 1 noname -0.1031 19 H1 4.8399 -3.8970 0.8903 H 1 noname 0.2214 20 H2 4.4702 -0.2737 1.3325 H 1 noname 0.0738 21 H3 3.5035 -2.7949 2.0247 H 1 noname 0.2113 22 H4 2.6934 -2.0429 -0.4876 H 1 noname 0.0650 23 H5 3.9906 -1.1418 -1.8522 H 1 noname 0.2106 24 H6 1.3668 -0.7347 1.1434 H 1 noname 0.0501 25 H7 2.2718 0.8043 0.5296 H 1 noname 0.0501 26 H8 -0.3736 -1.7305 -0.3304 H 1 noname 0.1016 27 H9 2.2186 3.6293 -3.0999 H 1 noname 0.1062 28 H10 -1.9174 1.9850 -4.8090 H 1 noname 0.1258 29 H11 -1.5281 0.2794 -4.8090 H 1 noname 0.1258 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 10 12 2 12 10 13 1 13 11 14 2 14 12 15 1 15 13 16 2 16 13 14 1 17 15 17 2 18 16 18 1 19 16 17 1 20 3 19 1 21 4 20 1 22 5 21 1 23 6 22 1 24 7 23 1 25 8 24 1 26 8 25 1 27 11 26 1 28 15 27 1 29 18 28 1 30 18 29 1 @SUBSTRUCTURE 1 noname 1