@MOLECULE DB01906 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 6.1898 5.0587 -0.1288 O.2 1 noname -0.2596 2 C1 4.9907 4.7070 -0.0990 C.2 1 noname 0.0849 3 O2 4.0144 5.6390 -0.0720 O.3 1 noname -0.2190 4 C2 4.6625 3.3563 -0.0937 C.2 1 noname 0.0029 5 C3 3.3290 2.9653 -0.0605 C.2 1 noname 0.0200 6 C4 5.6677 2.3967 -0.1215 C.2 1 noname -0.0191 7 C5 3.0008 1.6146 -0.0551 C.2 1 noname 0.0147 8 C6 5.3394 1.0460 -0.1162 C.2 1 noname -0.0364 9 N1 1.7153 1.2376 -0.0232 N.3 1 noname 0.0599 10 C7 4.0060 0.6550 -0.0830 C.2 1 noname -0.0088 11 N2 1.3384 -0.0072 -0.0163 N.2 1 noname -0.2136 12 N3 0.7242 2.0836 0.0041 N.2 1 noname -0.2064 13 C8 -0.0049 0.0009 0.0097 C.2 1 noname 0.1657 14 C9 -0.3818 1.3416 0.1088 C.2 1 noname 0.0825 15 N4 -0.9095 -1.0262 0.0285 N.2 1 noname -0.1976 16 C10 -1.7472 1.6443 0.3054 C.2 1 noname 0.1203 17 C11 -2.2415 -0.7358 0.1957 C.2 1 noname 0.0993 18 O3 -2.1776 2.9167 0.4403 O.3 1 noname -0.2369 19 N5 -2.6143 0.5836 0.3525 N.2 1 noname -0.2063 20 N6 -3.1590 -1.7124 0.2064 N.3 1 noname -0.0771 21 H1 3.7961 5.8474 0.8394 H 1 noname 0.2216 22 H2 2.5408 3.7178 -0.0387 H 1 noname 0.0652 23 H3 6.7133 2.7034 -0.1475 H 1 noname 0.0631 24 H4 6.1277 0.2935 -0.1380 H 1 noname 0.0623 25 H5 3.7486 -0.4042 -0.0788 H 1 noname 0.0643 26 H6 -2.2506 3.1326 1.3729 H 1 noname 0.2199 27 H7 -4.1422 -1.4815 0.2104 H 1 noname 0.1273 28 H8 -2.8672 -2.6793 0.2104 H 1 noname 0.1273 @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 1 9 7 10 2 10 8 10 1 11 9 11 1 12 9 12 1 13 11 13 2 14 12 14 2 15 13 15 1 16 13 14 1 17 14 16 1 18 15 17 2 19 16 18 1 20 16 19 2 21 17 20 1 22 17 19 1 23 3 21 1 24 5 22 1 25 6 23 1 26 8 24 1 27 10 25 1 28 18 26 1 29 20 27 1 30 20 28 1 @SUBSTRUCTURE 1 noname 1