@MOLECULE DB03185 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.2120 -0.0410 0.6311 O.2 1 noname -0.2834 2 C1 0.0266 -0.3262 0.9065 C.2 1 noname 0.0095 3 N1 -0.5372 -1.6247 0.6911 N.3 1 noname 0.0292 4 N2 -0.8891 0.6085 1.4634 N.3 1 noname 0.0111 5 C2 -1.1359 -2.3441 1.6574 C.2 1 noname -0.0752 6 C3 -0.4372 -2.1176 -0.6344 C.3 1 noname 0.1509 7 C4 -1.6148 0.4351 2.5718 C.2 1 noname -0.0882 8 C5 -1.7708 -1.9626 2.7760 C.2 1 noname -0.0487 9 O2 -1.5801 -1.7080 -1.3648 O.3 1 noname -0.3509 10 C6 -0.3437 -3.6478 -0.8392 C.3 1 noname 0.1230 11 C7 -1.9920 -0.6967 3.1759 C.2 1 noname -0.0516 12 C8 -1.3841 -2.4127 -2.5873 C.3 1 noname 0.1114 13 O3 1.0161 -4.0518 -0.7749 O.3 1 noname -0.3860 14 C9 -0.8544 -3.8139 -2.2591 C.3 1 noname 0.1123 15 C10 -2.7182 -2.5322 -3.3268 C.3 1 noname 0.0722 16 O4 0.2320 -4.1229 -3.1197 O.3 1 noname -0.3873 17 O5 -3.2233 -1.2344 -3.6043 O.3 1 noname -0.3934 18 H1 -1.0424 1.5022 1.0184 H 1 noname 0.1378 19 H2 -1.1004 -3.4232 1.5080 H 1 noname 0.0757 20 H3 0.4796 -1.6169 -0.9456 H 1 noname 0.0816 21 H4 -1.9486 1.3533 3.0551 H 1 noname 0.0754 22 H5 -2.1428 -2.7577 3.4221 H 1 noname 0.0633 23 H6 -0.8344 -4.2714 -0.0918 H 1 noname 0.0671 24 H7 -2.5464 -0.5723 4.1060 H 1 noname 0.0633 25 H8 -0.6688 -1.8295 -3.1673 H 1 noname 0.0656 26 H9 1.2833 -4.1312 0.1437 H 1 noname 0.2107 27 H10 -1.5526 -4.6371 -2.4102 H 1 noname 0.0657 28 H11 -2.5255 -2.9835 -4.3001 H 1 noname 0.0591 29 H12 -3.4406 -2.9865 -2.6487 H 1 noname 0.0591 30 H13 1.0045 -4.3425 -2.5937 H 1 noname 0.2106 31 H14 -3.4013 -0.7771 -2.7792 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 8 11 1 12 9 12 1 13 10 13 1 14 10 14 1 15 12 15 1 16 12 14 1 17 14 16 1 18 15 17 1 19 4 18 1 20 5 19 1 21 6 20 1 22 7 21 1 23 8 22 1 24 10 23 1 25 11 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