@MOLECULE DB07282 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -7.0460 -2.7868 -1.1042 O.2 1 noname -0.2552 2 C1 -5.8290 -3.0193 -0.9394 C.2 1 noname 0.1360 3 O2 -5.3275 -4.2362 -1.2397 O.3 1 noname -0.2183 4 C2 -4.9497 -1.9747 -0.4221 C.3 1 noname 0.0596 5 C3 -3.5224 -2.5155 -0.3168 C.3 1 noname 0.0865 6 O3 -2.6566 -1.4869 0.1925 O.3 1 noname -0.1998 7 N1 -1.4254 -1.8466 0.3184 N.2 1 noname -0.2061 8 C4 -0.4355 -1.7601 -0.5083 C.2 1 noname 0.0509 9 C5 -0.3619 -1.3164 -1.8132 C.2 1 noname -0.0047 10 C6 0.7690 -1.7156 -2.6227 C.2 1 noname 0.0225 11 C7 -1.4268 -0.5717 -2.4162 C.2 1 noname -0.0276 12 O4 1.9134 -2.2651 -2.1265 O.3 1 noname -0.2726 13 C8 0.7618 -1.5530 -4.0426 C.2 1 noname -0.0244 14 C9 -1.4076 -0.3765 -3.8209 C.2 1 noname -0.0661 15 C10 2.8393 -1.2332 -1.8189 C.3 1 noname 0.0423 16 C11 -0.3533 -0.8965 -4.6290 C.2 1 noname -0.0437 17 H1 -5.1319 -4.7108 -0.4284 H 1 noname 0.2213 18 H2 -4.9481 -1.1851 -1.1735 H 1 noname 0.0397 19 H3 -5.2974 -1.7640 0.5892 H 1 noname 0.0397 20 H4 -3.5186 -3.3036 0.4361 H 1 noname 0.0600 21 H5 -3.1693 -2.7247 -1.3266 H 1 noname 0.0600 22 H6 0.4778 -2.1162 -0.0317 H 1 noname 0.0871 23 H7 -2.2383 -0.1602 -1.8160 H 1 noname 0.0630 24 H8 1.5824 -1.9189 -4.6598 H 1 noname 0.0650 25 H9 -2.2178 0.1833 -4.2880 H 1 noname 0.0622 26 H10 2.9275 -1.1349 -0.7369 H 1 noname 0.0535 27 H11 3.8129 -1.4808 -2.2418 H 1 noname 0.0535 28 H12 2.4881 -0.2920 -2.2418 H 1 noname 0.0535 29 H13 -0.4005 -0.7904 -5.7128 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 8 9 1 9 9 10 2 10 9 11 1 11 10 12 1 12 10 13 1 13 11 14 2 14 12 15 1 15 13 16 2 16 14 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 8 22 1 23 11 23 1 24 13 24 1 25 14 25 1 26 15 26 1 27 15 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1