@MOLECULE DB03035 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 3.3710 -1.0728 -0.0071 O.2 1 noname -0.1436 2 N1 2.2073 -1.1228 0.0168 N.2 1 noname -0.0087 3 O2 1.6229 -2.2444 0.0442 O.3 1 noname -0.1436 4 C1 1.5067 -0.0219 0.0151 C.2 1 noname 0.0629 5 C2 0.0858 -0.0580 0.0439 C.2 1 noname 0.1085 6 C3 2.1430 1.2535 -0.0155 C.2 1 noname 0.0605 7 C4 -0.5501 -1.3936 -0.0240 C.2 1 noname 0.1012 8 C5 -0.7029 1.1616 0.0238 C.2 1 noname 0.0675 9 C6 1.3821 2.4560 -0.0088 C.2 1 noname 0.0180 10 O3 -0.1032 -2.4288 0.5156 O.2 1 noname -0.2903 11 C7 -1.7949 -1.3221 -0.8263 C.2 1 noname 0.0291 12 C8 -2.1904 1.0938 -0.1063 C.2 1 noname 0.0993 13 C9 -0.0490 2.4291 0.0122 C.2 1 noname 0.0762 14 C10 -2.5962 -0.1127 -0.8788 C.2 1 noname 0.0459 15 C11 -2.2145 -2.4951 -1.5096 C.2 1 noname -0.0198 16 O4 -2.9845 1.9344 0.3683 O.2 1 noname -0.2889 17 O5 -0.7622 3.5753 0.0207 O.3 1 noname -0.2745 18 C12 -3.7692 -0.0516 -1.6855 C.2 1 noname 0.0476 19 C13 -3.4368 -2.4548 -2.2465 C.2 1 noname -0.0229 20 O6 -4.4633 1.0995 -1.8105 O.3 1 noname -0.2775 21 C14 -4.1931 -1.2398 -2.3596 C.2 1 noname -0.0032 22 H1 3.2311 1.3102 -0.0447 H 1 noname 0.0648 23 H2 1.9037 3.4130 -0.0198 H 1 noname 0.0651 24 H3 -1.6135 -3.4036 -1.4695 H 1 noname 0.0630 25 H4 -0.9282 3.8421 0.9278 H 1 noname 0.2182 26 H5 -3.7971 -3.3634 -2.7289 H 1 noname 0.0623 27 H6 -4.6711 1.4441 -0.9390 H 1 noname 0.2182 28 H7 -5.0998 -1.2193 -2.9643 H 1 noname 0.0650 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 7 10 2 10 7 11 1 11 8 12 1 12 8 13 2 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 2 17 12 14 1 18 13 17 1 19 14 18 1 20 15 19 2 21 18 20 1 22 18 21 2 23 19 21 1 24 6 22 1 25 9 23 1 26 15 24 1 27 17 25 1 28 19 26 1 29 20 27 1 30 21 28 1 @SUBSTRUCTURE 1 noname 1