@MOLECULE DB06828 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7683 -3.6102 -0.2518 O.3 1 noname -0.2731 2 C1 -0.2596 -2.3604 -0.4631 C.2 1 noname 0.0090 3 C2 0.1413 -4.3231 0.5828 C.3 1 noname 0.0694 4 C3 -0.5744 -1.3318 0.4894 C.2 1 noname -0.0068 5 C4 0.5412 -2.1207 -1.6338 C.2 1 noname -0.0157 6 C5 -0.2841 -5.7288 1.0209 C.3 1 noname -0.0511 7 C6 -0.0393 -0.0676 0.2069 C.2 1 noname -0.0293 8 C7 1.0739 -0.8375 -1.9017 C.2 1 noname -0.0329 9 N1 0.7719 -6.6411 1.3477 N.3 1 noname -0.0811 10 C8 0.7403 0.1558 -0.9447 C.2 1 noname -0.0966 11 C9 -0.1660 1.1194 0.9065 C.2 1 noname -0.0492 12 C10 0.4731 -7.8653 1.8070 C.2 1 noname -0.1146 13 C11 2.1239 -6.5416 1.2114 C.2 1 noname -0.1146 14 N2 1.0860 1.4464 -0.9537 N.3 1 noname -0.0791 15 C12 0.5555 2.0393 0.1418 C.2 1 noname -0.1140 16 C13 1.6583 -8.5741 1.9819 C.2 1 noname -0.0518 17 C14 2.7054 -7.7443 1.6061 C.2 1 noname -0.0518 18 H1 1.0253 -4.4447 -0.0431 H 1 noname 0.0588 19 H2 0.1928 -3.7160 1.4866 H 1 noname 0.0588 20 H3 -1.1849 -1.5009 1.3765 H 1 noname 0.0657 21 H4 0.7491 -2.9298 -2.3339 H 1 noname 0.0650 22 H5 -0.8285 -5.6120 1.9580 H 1 noname 0.0496 23 H6 -0.7712 -6.1892 0.1614 H 1 noname 0.0496 24 H7 1.6918 -0.6308 -2.7755 H 1 noname 0.0643 25 H8 -0.7057 1.2892 1.8382 H 1 noname 0.0642 26 H9 -0.5401 -8.2172 2.0010 H 1 noname 0.0791 27 H10 2.6477 -5.6564 0.8504 H 1 noname 0.0791 28 H11 1.6485 1.8943 -1.6629 H 1 noname 0.1522 29 H12 0.6889 3.0962 0.3728 H 1 noname 0.0789 30 H13 1.7501 -9.5967 2.3480 H 1 noname 0.0636 31 H14 3.7679 -7.9876 1.6185 H 1 noname 0.0636 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 5 8 2 8 6 9 1 9 7 10 2 10 7 11 1 11 8 10 1 12 9 12 1 13 9 13 1 14 10 14 1 15 11 15 2 16 12 16 2 17 13 17 2 18 14 15 1 19 16 17 1 20 3 18 1 21 3 19 1 22 4 20 1 23 5 21 1 24 6 22 1 25 6 23 1 26 8 24 1 27 11 25 1 28 12 26 1 29 13 27 1 30 14 28 1 31 15 29 1 32 16 30 1 33 17 31 1 @SUBSTRUCTURE 1 noname 1