@MOLECULE DB02865 30 30 1 SMALL USER_CHARGES @ATOM 1 P1 -0.5581 -1.4984 -1.4807 P 1 noname 0.0165 2 O1 -1.3071 -1.7268 -2.6892 O.2 1 noname -0.1963 3 O2 -0.8898 -0.0999 -0.9278 O.3 1 noname -0.1483 4 O3 -0.9323 -2.5657 -0.4354 O.3 1 noname -0.1643 5 O4 0.9487 -1.5854 -1.7865 O.3 1 noname -0.1643 6 C1 -0.1480 0.1263 0.2692 C.3 1 noname 0.1293 7 C2 1.3853 0.0424 -0.0188 C.3 1 noname 0.1039 8 C3 -0.6135 1.5047 0.8182 C.3 1 noname 0.1136 9 O5 1.8392 -1.2824 0.2161 O.3 1 noname -0.3883 10 C4 2.3049 1.0453 0.7304 C.3 1 noname 0.0847 11 O6 0.2481 2.5814 0.3748 O.3 1 noname -0.3425 12 C5 -0.6334 1.4643 2.3475 C.3 1 noname 0.0723 13 N1 3.5988 1.1192 0.0537 N.3 1 noname -0.3212 14 C6 1.6536 2.4659 0.7658 C.3 1 noname 0.1727 15 O7 -1.0585 2.7230 2.8489 O.3 1 noname -0.3934 16 O8 1.8356 3.0381 2.0526 O.3 1 noname -0.3664 17 H1 -0.8068 -2.2077 0.4465 H 1 noname 0.2283 18 H2 1.4412 -1.6139 -0.9629 H 1 noname 0.2283 19 H3 -0.3918 -0.6727 0.9693 H 1 noname 0.0670 20 H4 1.5188 0.2414 -1.0822 H 1 noname 0.0647 21 H5 -1.5935 1.7612 0.4157 H 1 noname 0.0657 22 H6 1.8930 -1.4393 1.1616 H 1 noname 0.2106 23 H7 2.5062 0.6884 1.7404 H 1 noname 0.0544 24 H8 -1.4004 0.7541 2.6566 H 1 noname 0.0591 25 H9 0.3926 1.3441 2.6955 H 1 noname 0.0591 26 H10 4.0956 0.2715 -0.1801 H 1 noname 0.1189 27 H11 3.9959 2.0180 -0.1801 H 1 noname 0.1189 28 H12 2.1460 3.0963 0.0254 H 1 noname 0.0937 29 H13 -1.0521 2.7039 3.8086 H 1 noname 0.2101 30 H14 1.9276 2.3387 2.7037 H 1 noname 0.2133 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 10 13 1 13 10 14 1 14 11 14 1 15 12 15 1 16 14 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 7 20 1 21 8 21 1 22 9 22 1 23 10 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 15 29 1 30 16 30 1 @SUBSTRUCTURE 1 noname 1