@MOLECULE DB04560 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 2.2335 6.6559 -0.8749 O.2 1 noname -0.2558 2 C1 1.8540 5.8601 0.0112 C.2 1 noname 0.1350 3 O2 1.8023 6.2593 1.2998 O.3 1 noname -0.2188 4 C2 1.4667 4.4989 -0.3474 C.3 1 noname 0.0403 5 C3 1.0466 3.7395 0.9126 C.3 1 noname 0.0154 6 C4 0.6592 2.3782 0.5540 C.2 1 noname 0.1332 7 O3 -0.5282 2.1238 0.2577 O.2 1 noname -0.2991 8 C5 1.6588 1.3141 0.5414 C.3 1 noname 0.0129 9 C6 0.9959 -0.0036 0.1351 C.3 1 noname 0.0129 10 C7 1.9955 -1.0676 0.1225 C.2 1 noname 0.1332 11 O4 1.6639 -2.2331 -0.1846 O.2 1 noname -0.2991 12 C8 3.3824 -0.7705 0.4685 C.3 1 noname 0.0154 13 C9 4.2881 -1.1125 -0.7162 C.3 1 noname 0.0403 14 C10 5.6751 -0.8154 -0.3702 C.2 1 noname 0.1350 15 O5 6.5849 -1.0228 -1.2018 O.2 1 noname -0.2558 16 O6 5.9749 -0.3166 0.8480 O.3 1 noname -0.2188 17 H1 1.7793 5.4893 1.8727 H 1 noname 0.2213 18 H2 0.5862 4.5953 -0.9826 H 1 noname 0.0377 19 H3 2.3679 4.0227 -0.7337 H 1 noname 0.0377 20 H4 1.9271 3.6431 1.5478 H 1 noname 0.0351 21 H5 0.1454 4.2156 1.2989 H 1 noname 0.0351 22 H6 2.3698 1.5800 -0.2409 H 1 noname 0.0350 23 H7 1.9970 1.2084 1.5722 H 1 noname 0.0350 24 H8 0.2849 -0.2694 0.9174 H 1 noname 0.0350 25 H9 0.6577 0.1022 -0.8957 H 1 noname 0.0350 26 H10 3.4295 0.3082 0.6182 H 1 noname 0.0351 27 H11 3.6390 -1.4457 1.2848 H 1 noname 0.0351 28 H12 4.2410 -2.1912 -0.8659 H 1 noname 0.0377 29 H13 4.0316 -0.4373 -1.5325 H 1 noname 0.0377 30 H14 6.1258 -1.0395 1.4614 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 14 15 2 15 14 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 12 26 1 26 12 27 1 27 13 28 1 28 13 29 1 29 16 30 1 @SUBSTRUCTURE 1 noname 1