@MOLECULE DB03924 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.8598 -1.3275 -0.7394 O.2 1 noname -0.2904 2 C1 1.2863 -0.2711 -0.3966 C.2 1 noname 0.0900 3 C2 -0.1531 -0.2371 -0.0215 C.2 1 noname 0.0527 4 C3 1.9959 1.0280 -0.3375 C.2 1 noname 0.0051 5 C4 -0.8144 0.9893 0.3752 C.2 1 noname 0.0527 6 C5 -0.8782 -1.4665 -0.0673 C.2 1 noname 0.0326 7 C6 1.3329 2.2469 0.0547 C.2 1 noname 0.0051 8 C7 3.3755 1.0399 -0.6903 C.2 1 noname -0.0169 9 C8 -0.0953 2.2900 0.4307 C.2 1 noname 0.0900 10 C9 -2.1987 0.9827 0.7268 C.2 1 noname 0.0326 11 O2 -0.2680 -2.6133 -0.4347 O.3 1 noname -0.2798 12 C10 -2.2610 -1.4572 0.2832 C.2 1 noname 0.0035 13 C11 2.0490 3.4802 0.0954 C.2 1 noname -0.0169 14 N1 3.9974 -0.0901 -1.0535 N.3 1 noname -0.1507 15 C12 4.0841 2.2807 -0.6496 C.2 1 noname -0.0418 16 O3 -0.6620 3.3502 0.7732 O.2 1 noname -0.2904 17 O4 -2.8197 2.1216 1.1006 O.3 1 noname -0.2798 18 C13 -2.9118 -0.2515 0.6752 C.2 1 noname 0.0035 19 N2 1.4331 4.6123 0.4622 N.3 1 noname -0.1507 20 C14 3.4315 3.4901 -0.2604 C.2 1 noname -0.0418 21 H1 -0.0077 -3.1026 0.3492 H 1 noname 0.2182 22 H2 -2.8295 -2.3866 0.2511 H 1 noname 0.0651 23 H3 3.4654 -0.9377 -1.1904 H 1 noname 0.1243 24 H4 4.9980 -0.0943 -1.1904 H 1 noname 0.1243 25 H5 5.1398 2.3050 -0.9197 H 1 noname 0.0639 26 H6 -2.8470 2.1716 2.0589 H 1 noname 0.2182 27 H7 -3.9692 -0.2735 0.9389 H 1 noname 0.0651 28 H8 1.9694 5.4570 0.6004 H 1 noname 0.1243 29 H9 0.4327 4.6210 0.6004 H 1 noname 0.1243 30 H10 3.9911 4.4251 -0.2349 H 1 noname 0.0639 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 2 12 7 13 1 13 7 9 1 14 8 14 1 15 8 15 2 16 9 16 2 17 10 17 1 18 10 18 2 19 12 18 1 20 13 19 1 21 13 20 2 22 15 20 1 23 11 21 1 24 12 22 1 25 14 23 1 26 14 24 1 27 15 25 1 28 17 26 1 29 18 27 1 30 19 28 1 31 19 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1