@MOLECULE DB01655 30 29 1 SMALL USER_CHARGES @ATOM 1 P1 -0.7933 1.2418 -5.2076 P 1 noname 0.0149 2 O1 -1.9046 1.9444 -5.7949 O.2 1 noname -0.1967 3 O2 -1.0898 0.9620 -3.7225 O.3 1 noname -0.1525 4 O3 0.4779 2.1033 -5.3238 O.3 1 noname -0.1645 5 O4 -0.5795 -0.0913 -5.9484 O.3 1 noname -0.1645 6 C1 0.0061 0.2692 -3.1434 C.3 1 noname 0.0911 7 C2 -0.2885 -0.0088 -1.6680 C.3 1 noname 0.1069 8 O5 -0.4857 1.2204 -0.9849 O.3 1 noname -0.3878 9 C3 0.8923 -0.7553 -1.0440 C.3 1 noname 0.1112 10 O6 2.0644 0.0391 -1.1512 O.3 1 noname -0.3874 11 C4 0.5977 -1.0332 0.4314 C.3 1 noname 0.1180 12 O7 1.6936 -1.7260 1.0106 O.3 1 noname -0.3869 13 C5 -0.6652 -1.8891 0.5469 C.3 1 noname 0.1677 14 O8 -0.9386 -2.1471 1.9162 O.3 1 noname -0.3798 15 C6 -0.4625 -3.1530 -0.1554 C.2 1 noname 0.1513 16 O9 -1.2087 -3.4651 -1.1084 O.2 1 noname -0.2443 17 O10 0.5309 -3.9845 0.2245 O.3 1 noname -0.2099 18 H1 0.7986 2.3206 -4.4455 H 1 noname 0.2283 19 H2 -0.4661 -0.7982 -5.3088 H 1 noname 0.2283 20 H3 0.0535 -0.6872 -3.6643 H 1 noname 0.0605 21 H4 0.8473 0.9604 -3.1954 H 1 noname 0.0605 22 H5 -1.2192 -0.5627 -1.5454 H 1 noname 0.0653 23 H6 -0.4611 1.0676 -0.0375 H 1 noname 0.2106 24 H7 1.1131 -1.6749 -1.5859 H 1 noname 0.0657 25 H8 2.3851 0.2564 -0.2728 H 1 noname 0.2106 26 H9 0.5048 -0.1079 1.0000 H 1 noname 0.0662 27 H10 1.6286 -1.6849 1.9675 H 1 noname 0.2107 28 H11 -1.5476 -1.3963 0.1387 H 1 noname 0.0739 29 H12 -0.9681 -3.0953 2.0636 H 1 noname 0.2113 30 H13 0.5710 -4.0181 1.1831 H 1 noname 0.2214 @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 2 16 15 17 1 17 4 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 8 23 1 23 9 24 1 24 10 25 1 25 11 26 1 26 12 27 1 27 13 28 1 28 14 29 1 29 17 30 1 @SUBSTRUCTURE 1 noname 1