@MOLECULE DB02900 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -2.5122 -1.5114 -2.0522 P 1 noname 0.0149 2 O1 -2.9831 -2.8590 -1.8627 O.2 1 noname -0.1967 3 O2 -1.4218 -1.1975 -1.0110 O.3 1 noname -0.1525 4 O3 -1.9260 -1.3669 -3.4689 O.3 1 noname -0.1645 5 O4 -3.6852 -0.5287 -1.8793 O.3 1 noname -0.1645 6 C1 -0.9575 0.1314 -1.1978 C.3 1 noname 0.0915 7 C2 0.1315 0.4449 -0.1580 C.3 1 noname 0.1136 8 O5 1.2346 -0.4906 -0.3317 O.3 1 noname -0.3414 9 C3 0.4599 1.9636 -0.2717 C.3 1 noname 0.1112 10 C4 2.5804 -0.0757 0.0568 C.3 1 noname 0.1838 11 O6 0.5310 2.5311 1.0280 O.3 1 noname -0.3874 12 C5 1.8026 2.1995 -1.0133 C.3 1 noname 0.1134 13 O7 2.6607 0.0054 1.4722 O.3 1 noname -0.3656 14 C6 2.9798 1.2982 -0.5665 C.3 1 noname 0.1331 15 O8 1.6021 2.0575 -2.4119 O.3 1 noname -0.3873 16 O9 3.8547 1.0836 -1.6642 O.3 1 noname -0.3849 17 H1 -1.7717 -2.2379 -3.8418 H 1 noname 0.2283 18 H2 -3.8511 -0.3897 -0.9440 H 1 noname 0.2283 19 H3 -0.4961 0.1402 -2.1853 H 1 noname 0.0605 20 H4 -1.8168 0.7695 -0.9920 H 1 noname 0.0605 21 H5 -0.1356 0.2344 0.8776 H 1 noname 0.0657 22 H6 -0.3487 2.4964 -0.7721 H 1 noname 0.0657 23 H7 3.2489 -0.8783 -0.2547 H 1 noname 0.0949 24 H8 0.5667 1.8293 1.6821 H 1 noname 0.2106 25 H9 2.0987 3.2347 -0.8433 H 1 noname 0.0658 26 H10 2.6817 -0.8799 1.8428 H 1 noname 0.2134 27 H11 3.5478 1.8546 0.1792 H 1 noname 0.0682 28 H12 1.5698 1.1250 -2.6375 H 1 noname 0.2106 29 H13 3.9666 0.1405 -1.8045 H 1 noname 0.2108 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 12 15 1 15 12 14 1 16 14 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1