@MOLECULE DB01265 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.5643 1.7398 -0.3184 O.2 1 noname -0.2798 2 C1 0.4197 1.2711 0.8314 C.2 1 noname 0.0298 3 N1 0.0954 -0.0624 1.0222 N.3 1 noname 0.0361 4 N2 0.5772 2.0612 1.9399 N.3 1 noname 0.0797 5 C2 -0.0963 -0.5672 2.2991 C.2 1 noname -0.0377 6 C3 -0.1053 -0.9902 -0.0621 C.3 1 noname 0.1250 7 C4 0.3984 1.5737 3.2167 C.2 1 noname 0.0638 8 C5 0.0432 0.2259 3.4665 C.2 1 noname 0.0437 9 O2 -1.4709 -0.9543 -0.4845 O.3 1 noname -0.3538 10 C6 0.7313 -0.8645 -1.3547 C.3 1 noname 0.0167 11 O3 0.5549 2.3470 4.1862 O.2 1 noname -0.2887 12 C7 -0.1620 -0.3025 4.8119 C.3 1 noname -0.0339 13 C8 -1.4249 -1.8032 -1.6314 C.3 1 noname 0.1087 14 C9 -0.1471 -1.5053 -2.4215 C.3 1 noname 0.0864 15 C10 -2.6450 -1.5339 -2.5144 C.3 1 noname 0.0721 16 O4 0.4407 -2.7254 -2.8485 O.3 1 noname -0.3900 17 O5 -3.8299 -1.7975 -1.7777 O.3 1 noname -0.3934 18 H1 0.8324 3.0300 1.8123 H 1 noname 0.1418 19 H2 -0.3649 -1.6198 2.3879 H 1 noname 0.0762 20 H3 0.1698 -1.9030 0.4663 H 1 noname 0.0788 21 H4 0.8277 0.1942 -1.5956 H 1 noname 0.0335 22 H5 1.6230 -1.4816 -1.2439 H 1 noname 0.0335 23 H6 -0.1569 -1.3920 4.7790 H 1 noname 0.0282 24 H7 0.6387 0.0450 5.4648 H 1 noname 0.0282 25 H8 -1.1209 0.0450 5.1964 H 1 noname 0.0282 26 H9 -1.4333 -2.8249 -1.2517 H 1 noname 0.0655 27 H10 -0.2687 -0.9389 -3.3449 H 1 noname 0.0629 28 H11 -2.6721 -0.4672 -2.7368 H 1 noname 0.0591 29 H12 -2.6404 -2.2601 -3.3273 H 1 noname 0.0591 30 H13 0.6913 -3.2455 -2.0815 H 1 noname 0.2105 31 H14 -3.6386 -1.7549 -0.8379 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 6 3 1 6 4 7 1 7 5 8 2 8 6 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 13 15 1 16 13 14 1 17 14 16 1 18 15 17 1 19 4 18 1 20 5 19 1 21 6 20 1 22 10 21 1 23 10 22 1 24 12 23 1 25 12 24 1 26 12 25 1 27 13 26 1 28 14 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 17 31 1 @SUBSTRUCTURE 1 noname 1