@MOLECULE DB04723 29 29 1 SMALL USER_CHARGES @ATOM 1 S1 -0.2797 -3.1704 3.4364 S.3 1 noname -0.1781 2 C1 0.0742 -2.5670 1.7779 C.3 1 noname 0.0066 3 C2 0.1645 -1.0398 1.7992 C.3 1 noname 0.0787 4 C3 0.4516 -0.5505 0.4540 C.2 1 noname -0.0349 5 C4 1.2328 -0.6281 2.7052 C.2 1 noname 0.1391 6 C5 1.7685 -0.3905 0.0389 C.2 1 noname -0.0086 7 C6 -0.5920 -0.2446 -0.4117 C.2 1 noname -0.0472 8 O1 0.9721 0.0935 3.6920 O.2 1 noname -0.2529 9 O2 2.5023 -1.0267 2.4771 O.3 1 noname -0.2166 10 C7 2.0418 0.0755 -1.2418 C.2 1 noname 0.0027 11 C8 -0.3187 0.2214 -1.6925 C.2 1 noname -0.0455 12 N1 3.2781 0.2257 -1.6315 N.2 1 noname -0.2410 13 C9 0.9982 0.3814 -2.1075 C.2 1 noname -0.0164 14 C10 4.1842 0.5116 -0.7813 C.2 1 noname -0.1323 15 N2 5.4254 0.6624 -1.1725 N.3 1 noname -0.1313 16 N3 3.8741 0.6545 0.4834 N.3 1 noname -0.1313 17 H1 -0.2792 -4.4904 3.4339 H 1 noname 0.1022 18 H2 1.0739 -2.8844 1.4815 H 1 noname 0.0389 19 H3 -0.7771 -2.7700 1.1281 H 1 noname 0.0389 20 H4 -0.7642 -0.5802 2.1374 H 1 noname 0.0467 21 H5 2.5868 -0.6303 0.7178 H 1 noname 0.0648 22 H6 -1.6247 -0.3700 -0.0862 H 1 noname 0.0625 23 H7 2.9491 -1.1670 3.3151 H 1 noname 0.2213 24 H8 -1.1371 0.4613 -2.3713 H 1 noname 0.0623 25 H9 1.2125 0.7467 -3.1118 H 1 noname 0.0645 26 H10 6.0093 -0.1478 -1.3233 H 1 noname 0.1267 27 H11 5.7983 1.5888 -1.3233 H 1 noname 0.1267 28 H12 4.6041 0.7096 1.1793 H 1 noname 0.1267 29 H13 2.9051 0.7096 0.7626 H 1 noname 0.1267 @BOND 1 1 2 1 2 3 2 1 3 3 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 10 12 1 12 10 13 2 13 11 13 1 14 12 14 2 15 14 15 1 16 14 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 6 21 1 22 7 22 1 23 9 23 1 24 11 24 1 25 13 25 1 26 15 26 1 27 15 27 1 28 16 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1