@MOLECULE DB03240 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 3.1810 -0.9754 3.2659 O.2 1 noname -0.2813 2 C1 2.3599 -0.7325 2.3553 C.2 1 noname 0.0250 3 N1 2.7876 -0.3440 1.1089 N.3 1 noname 0.0288 4 N2 1.0113 -0.8477 2.5777 N.3 1 noname 0.0791 5 C2 1.8706 -0.0642 0.1421 C.2 1 noname -0.0362 6 C3 4.1660 -0.2358 0.8329 C.3 1 noname 0.0367 7 C4 0.0589 -0.5889 1.6188 C.2 1 noname 0.0656 8 C5 0.4878 -0.1667 0.3474 C.2 1 noname 0.0481 9 C6 2.1582 0.3713 -1.2162 C.3 1 noname -0.0164 10 C7 4.6884 -1.5759 0.3113 C.3 1 noname 0.1050 11 O2 -1.1577 -0.7255 1.8714 O.2 1 noname -0.2882 12 C8 -0.2982 0.1801 -0.8254 C.3 1 noname -0.0213 13 C9 0.7753 0.8222 -1.7263 C.3 1 noname -0.0440 14 N3 6.1177 -1.4638 0.0251 N.3 1 noname -0.3183 15 C10 3.9741 -1.9345 -0.9105 C.2 1 noname 0.1443 16 O3 3.3123 -2.9938 -0.9596 O.2 1 noname -0.2492 17 O4 4.0283 -1.1219 -1.9873 O.3 1 noname -0.2137 18 H1 0.7037 -1.1382 3.4948 H 1 noname 0.1418 19 H2 4.2426 0.4952 0.0280 H 1 noname 0.0462 20 H3 4.6383 -0.0383 1.7952 H 1 noname 0.0462 21 H4 2.8125 1.2403 -1.1472 H 1 noname 0.0326 22 H5 2.4758 -0.5067 -1.7786 H 1 noname 0.0326 23 H6 4.5471 -2.3786 1.0351 H 1 noname 0.0585 24 H7 -0.6417 -0.7491 -1.2799 H 1 noname 0.0318 25 H8 -1.0201 0.9402 -0.5267 H 1 noname 0.0318 26 H9 0.7151 1.9004 -1.5777 H 1 noname 0.0273 27 H10 0.6494 0.4018 -2.7241 H 1 noname 0.0273 28 H11 6.6799 -2.2970 -0.0738 H 1 noname 0.1192 29 H12 6.5430 -0.5530 -0.0738 H 1 noname 0.1192 30 H13 4.0686 -1.6521 -2.7866 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 7 8 1 12 8 12 1 13 9 13 1 14 10 14 1 15 10 15 1 16 12 13 1 17 15 16 2 18 15 17 1 19 4 18 1 20 6 19 1 21 6 20 1 22 9 21 1 23 9 22 1 24 10 23 1 25 12 24 1 26 12 25 1 27 13 26 1 28 13 27 1 29 14 28 1 30 14 29 1 31 17 30 1 @SUBSTRUCTURE 1 noname 1