@MOLECULE DB02778 33 33 1 SMALL USER_CHARGES @ATOM 1 P1 3.7661 -3.9303 -2.4831 P 1 noname 0.0149 2 O1 3.6775 -4.0476 -3.9156 O.2 1 noname -0.1967 3 O2 2.9853 -2.6861 -2.0206 O.3 1 noname -0.1525 4 O3 5.2432 -3.7923 -2.0697 O.3 1 noname -0.1645 5 O4 3.1647 -5.1871 -1.8270 O.3 1 noname -0.1645 6 C1 3.0726 -2.5705 -0.6080 C.3 1 noname 0.0914 7 C2 2.2951 -1.3317 -0.1476 C.3 1 noname 0.1110 8 O5 2.8086 -0.1378 -0.7240 O.3 1 noname -0.3644 9 C3 2.4159 -1.1010 1.3552 C.3 1 noname 0.1110 10 C4 2.1040 0.8572 0.0142 C.3 1 noname 0.1110 11 O6 3.7668 -1.2799 1.7545 O.3 1 noname -0.3874 12 C5 2.0435 0.3806 1.4633 C.3 1 noname 0.1110 13 C6 2.8682 2.1808 -0.0558 C.3 1 noname 0.0914 14 O7 0.7134 0.5003 1.9458 O.3 1 noname -0.3874 15 O8 2.9834 2.5898 -1.4108 O.3 1 noname -0.1525 16 P2 3.7526 3.9220 -1.4813 P 1 noname 0.0149 17 O9 3.8695 4.3367 -2.8553 O.2 1 noname -0.1967 18 O10 5.1581 3.7358 -0.8800 O.3 1 noname -0.1645 19 O11 2.9914 4.9971 -0.6835 O.3 1 noname -0.1645 20 H1 5.3082 -3.7863 -1.1120 H 1 noname 0.2283 21 H2 3.2062 -5.1004 -0.8718 H 1 noname 0.2283 22 H3 2.5685 -3.4525 -0.2131 H 1 noname 0.0605 23 H4 4.1289 -2.4054 -0.3953 H 1 noname 0.0605 24 H5 1.2680 -1.4669 -0.4864 H 1 noname 0.0656 25 H6 1.8645 -1.7900 1.9949 H 1 noname 0.0657 26 H7 1.1164 0.9609 -0.4352 H 1 noname 0.0656 27 H8 3.8189 -1.2868 2.7130 H 1 noname 0.2106 28 H9 2.6339 0.9631 2.1705 H 1 noname 0.0657 29 H10 2.2623 2.9466 0.4285 H 1 noname 0.0605 30 H11 3.8889 1.9997 0.2810 H 1 noname 0.0605 31 H12 0.7199 0.4997 2.9058 H 1 noname 0.2106 32 H13 5.0998 3.7435 0.0782 H 1 noname 0.2283 33 H14 3.1041 4.8379 0.2564 H 1 noname 0.2283 @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 12 1 14 12 14 1 15 13 15 1 16 15 16 1 17 16 17 2 18 16 18 1 19 16 19 1 20 4 20 1 21 5 21 1 22 6 22 1 23 6 23 1 24 7 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 18 32 1 33 19 33 1 @SUBSTRUCTURE 1 noname 1