@MOLECULE DB04340 18 18 1 SMALL USER_CHARGES @ATOM 1 P1 -1.9904 -0.7033 -0.3636 P 1 noname -0.1627 2 O1 -3.0587 -1.5989 -0.7245 O.2 1 noname -0.4100 3 O2 -0.7039 -1.2576 0.2761 O.3 1 noname -0.2132 4 O3 -2.1344 0.8088 -0.6174 O.3 1 noname -0.4100 5 C1 0.1485 -0.2410 0.5261 C.2 1 noname 0.0039 6 C2 1.0718 0.1450 -0.4386 C.2 1 noname -0.0104 7 C3 0.1028 0.4197 1.7482 C.2 1 noname -0.0274 8 C4 1.1175 -0.5157 -1.6607 C.2 1 noname -0.0267 9 C5 1.9494 1.1917 -0.1812 C.2 1 noname -0.0462 10 C6 0.9804 1.4664 2.0056 C.2 1 noname -0.0591 11 O4 1.9478 -0.1686 -2.5282 O.2 1 noname -0.4616 12 O5 0.2651 -1.5323 -1.9107 O.3 1 noname -0.4616 13 C7 1.9037 1.8524 1.0409 C.2 1 noname -0.0692 14 H1 -2.9994 -1.5491 -0.7045 H 1 noname 0.1024 15 H2 -0.6213 0.1170 2.5046 H 1 noname 0.0649 16 H3 2.6735 1.4944 -0.9376 H 1 noname 0.0622 17 H4 0.9446 1.9845 2.9639 H 1 noname 0.0623 18 H5 2.5920 2.6732 1.2428 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 3 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 2 11 8 12 1 12 9 13 2 13 10 13 1 14 1 14 1 15 7 15 1 16 9 16 1 17 10 17 1 18 13 18 1 @SUBSTRUCTURE 1 noname 1