@MOLECULE DB02843 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -1.1309 0.0880 -1.8308 P 1 noname 0.0230 2 O1 -2.5012 -0.3543 -1.8454 O.2 1 noname -0.1947 3 O2 -0.8433 0.8249 -0.5095 O.3 1 noname -0.1311 4 O3 -0.1969 -1.1304 -1.9529 O.3 1 noname -0.1633 5 O4 -0.8869 1.0424 -3.0145 O.3 1 noname -0.1633 6 C1 0.5113 1.2621 -0.4951 C.3 1 noname 0.2010 7 O5 0.7187 2.1655 -1.6261 O.3 1 noname -0.3405 8 C2 0.7454 1.8426 0.9336 C.3 1 noname 0.1342 9 C3 1.6653 3.2655 -1.4828 C.3 1 noname 0.1124 10 O6 -0.2022 1.2851 1.8322 O.3 1 noname -0.3849 11 C4 0.5944 3.3826 0.9146 C.3 1 noname 0.1134 12 C5 1.4177 4.1059 -0.1905 C.3 1 noname 0.1112 13 C6 3.0916 2.7120 -1.4657 C.3 1 noname 0.0722 14 O7 0.9449 3.9083 2.1864 O.3 1 noname -0.3873 15 O8 0.7783 5.3262 -0.5347 O.3 1 noname -0.3874 16 O9 3.3467 2.0234 -2.6810 O.3 1 noname -0.3934 17 H1 0.0408 -1.4405 -1.0760 H 1 noname 0.2283 18 H2 -0.7230 0.5304 -3.8099 H 1 noname 0.2283 19 H3 1.2135 0.4573 -0.7129 H 1 noname 0.0960 20 H4 1.7163 1.5499 1.3335 H 1 noname 0.0683 21 H5 1.4897 3.8808 -2.3652 H 1 noname 0.0657 22 H6 0.0779 1.4499 2.7355 H 1 noname 0.2108 23 H7 -0.4604 3.6143 0.7669 H 1 noname 0.0658 24 H8 2.3845 4.3791 0.2323 H 1 noname 0.0657 25 H9 3.7813 3.5561 -1.4595 H 1 noname 0.0591 26 H10 3.1504 1.9544 -0.6843 H 1 noname 0.0591 27 H11 1.1129 3.1859 2.7959 H 1 noname 0.2106 28 H12 0.5324 5.7955 0.2658 H 1 noname 0.2106 29 H13 3.3140 1.0766 -2.5253 H 1 noname 0.2101 @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 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 11 14 1 14 11 12 1 15 12 15 1 16 13 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1