@MOLECULE DB02548 31 30 1 SMALL USER_CHARGES @ATOM 1 P1 3.8501 2.9650 -1.6122 P 1 noname 0.0149 2 O1 5.2097 3.3446 -1.9864 O.2 1 noname -0.1967 3 O2 3.7406 1.3945 -1.4103 O.3 1 noname -0.1525 4 O3 3.4553 3.6937 -0.2650 O.3 1 noname -0.1645 5 O4 2.8443 3.4088 -2.7492 O.3 1 noname -0.1645 6 C1 2.3820 0.9967 -1.1558 C.3 1 noname 0.0911 7 C2 2.4524 -0.3271 -0.3897 C.3 1 noname 0.1069 8 O5 3.1531 -0.0048 0.8033 O.3 1 noname -0.3878 9 C3 1.1051 -0.9878 0.0470 C.3 1 noname 0.1107 10 O6 0.0926 -0.9017 -0.9740 O.3 1 noname -0.3874 11 C4 1.2267 -2.4943 0.4439 C.3 1 noname 0.1107 12 O7 -0.0704 -2.9129 0.9012 O.3 1 noname -0.3874 13 C5 2.2266 -2.8665 1.5797 C.3 1 noname 0.1056 14 O8 1.9867 -4.1959 2.0622 O.3 1 noname -0.3878 15 C6 3.7158 -2.8862 1.1994 C.3 1 noname 0.0718 16 O9 4.4574 -1.9599 1.9901 O.3 1 noname -0.3934 17 H1 3.2582 3.0378 0.4077 H 1 noname 0.2283 18 H2 2.4726 2.6298 -3.1695 H 1 noname 0.2283 19 H3 1.9583 1.7538 -0.4961 H 1 noname 0.0605 20 H4 1.9297 0.8072 -2.1292 H 1 noname 0.0605 21 H5 2.9757 -1.0461 -1.0200 H 1 noname 0.0653 22 H6 3.4149 -0.8137 1.2490 H 1 noname 0.2106 23 H7 0.7451 -0.3888 0.8835 H 1 noname 0.0657 24 H8 -0.1704 -1.7860 -1.2393 H 1 noname 0.2106 25 H9 1.5403 -3.0302 -0.4519 H 1 noname 0.0657 26 H10 -0.0851 -2.9177 1.8611 H 1 noname 0.2106 27 H11 2.0382 -2.1290 2.3600 H 1 noname 0.0652 28 H12 1.9873 -4.1929 3.0222 H 1 noname 0.2106 29 H13 4.1135 -3.8663 1.4628 H 1 noname 0.0591 30 H14 3.8029 -2.5197 0.1766 H 1 noname 0.0591 31 H15 4.3102 -2.1438 2.9208 H 1 noname 0.2101 @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 1 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 13 27 1 27 14 28 1 28 15 29 1 29 15 30 1 30 16 31 1 @SUBSTRUCTURE 1 noname 1