@MOLECULE DB04277 29 28 1 SMALL USER_CHARGES @ATOM 1 P1 3.3601 1.1314 1.9125 P 1 noname 0.0149 2 O1 3.3493 2.3439 2.7414 O.2 1 noname -0.1967 3 O2 1.8866 0.8053 1.4016 O.3 1 noname -0.1525 4 O3 4.3087 1.3597 0.6714 O.3 1 noname -0.1645 5 O4 3.9116 -0.0781 2.7746 O.3 1 noname -0.1645 6 C1 1.8203 -0.3538 0.5599 C.3 1 noname 0.0911 7 C2 0.3921 -0.5367 0.0189 C.3 1 noname 0.1073 8 O5 -0.1785 0.7466 -0.2293 O.3 1 noname -0.3877 9 C3 0.2849 -1.4970 -1.1900 C.3 1 noname 0.1153 10 O6 1.3403 -1.4188 -2.1428 O.3 1 noname -0.3870 11 C4 -1.1088 -1.4767 -1.8650 C.3 1 noname 0.1431 12 O7 -1.2755 -2.6779 -2.6085 O.3 1 noname -0.3823 13 C5 -1.5769 -0.3293 -2.6953 C.2 1 noname 0.1735 14 O8 -2.7944 -0.3261 -2.9806 O.2 1 noname -0.2785 15 C6 -0.7672 0.7926 -3.2149 C.3 1 noname 0.1045 16 O9 -1.1235 2.0356 -2.5889 O.3 1 noname -0.3884 17 H1 4.5805 0.5103 0.3158 H 1 noname 0.2283 18 H2 3.8187 0.1258 3.7081 H 1 noname 0.2283 19 H3 2.4720 -0.1345 -0.2858 H 1 noname 0.0605 20 H4 2.0405 -1.1983 1.2130 H 1 noname 0.0605 21 H5 -0.2431 -0.9649 0.7943 H 1 noname 0.0653 22 H6 -0.3705 1.1785 0.6063 H 1 noname 0.2106 23 H7 0.5017 -2.4902 -0.7970 H 1 noname 0.0660 24 H8 2.1814 -1.3564 -1.6843 H 1 noname 0.2107 25 H9 -1.8105 -1.4082 -1.0337 H 1 noname 0.0712 26 H10 -1.3781 -3.4167 -2.0042 H 1 noname 0.2111 27 H11 0.2650 0.5985 -2.9236 H 1 noname 0.0647 28 H12 -1.0242 0.9061 -4.2681 H 1 noname 0.0647 29 H13 -1.0942 1.9333 -1.6348 H 1 noname 0.2106 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 13 14 2 14 13 15 1 15 15 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 10 24 1 24 11 25 1 25 12 26 1 26 15 27 1 27 15 28 1 28 16 29 1 @SUBSTRUCTURE 1 noname 1