@MOLECULE DB04385 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.6791 -0.4111 -2.0140 O.2 1 noname -0.2908 2 C1 0.8345 0.3481 -1.0332 C.2 1 noname 0.0496 3 N1 0.3714 -0.0324 0.2255 N.3 1 noname 0.0257 4 C2 1.4868 1.6079 -1.1992 C.2 1 noname 0.0366 5 C3 0.5051 0.7787 1.3589 C.2 1 noname -0.0722 6 C4 -0.2908 -1.3129 0.2482 C.3 1 noname 0.1500 7 C5 1.6310 2.4303 -0.0368 C.2 1 noname -0.0826 8 C6 1.1580 2.0454 1.2566 C.2 1 noname -0.0407 9 O2 -1.6966 -1.1570 0.0418 O.3 1 noname -0.3509 10 C7 -0.1560 -2.2393 1.4877 C.3 1 noname 0.1230 11 N2 2.2383 3.6177 -0.1668 N.3 1 noname -0.1647 12 C8 -2.1818 -2.4884 0.2228 C.3 1 noname 0.1114 13 O3 0.9636 -3.0963 1.3187 O.3 1 noname -0.3860 14 C9 -1.4464 -3.0690 1.4444 C.3 1 noname 0.1123 15 C10 -3.6853 -2.4494 0.5036 C.3 1 noname 0.0722 16 O4 -1.1257 -4.4307 1.2006 O.3 1 noname -0.3873 17 O5 -4.3562 -1.8461 -0.5929 O.3 1 noname -0.3934 18 H1 1.8591 1.9282 -2.1723 H 1 noname 0.0691 19 H2 0.1053 0.4278 2.3103 H 1 noname 0.0757 20 H3 0.2256 -1.7454 -0.6088 H 1 noname 0.0816 21 H4 1.2894 2.6893 2.1262 H 1 noname 0.0649 22 H5 0.0439 -1.7423 2.4370 H 1 noname 0.0671 23 H6 3.2459 3.6669 -0.2157 H 1 noname 0.1242 24 H7 1.6884 4.4634 -0.2157 H 1 noname 0.1242 25 H8 -1.9848 -3.0383 -0.6975 H 1 noname 0.0656 26 H9 1.3015 -3.3549 2.1793 H 1 noname 0.2107 27 H10 -2.0177 -3.1008 2.3721 H 1 noname 0.0657 28 H11 -4.0491 -3.4764 0.5378 H 1 noname 0.0591 29 H12 -3.8536 -1.7832 1.3498 H 1 noname 0.0591 30 H13 -1.0178 -4.8888 2.0374 H 1 noname 0.2106 31 H14 -4.7081 -2.5295 -1.1680 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 2 7 5 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 7 8 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 8 21 1 23 10 22 1 24 11 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