@MOLECULE DB02076 30 29 1 SMALL USER_CHARGES @ATOM 1 P1 3.8755 2.9728 -1.4641 P 1 noname 0.0149 2 O1 5.2110 3.3317 -1.8656 O.2 1 noname -0.1967 3 O2 3.7340 1.4295 -1.4614 O.3 1 noname -0.1525 4 O3 3.6014 3.5159 -0.0493 O.3 1 noname -0.1645 5 O4 2.8619 3.5794 -2.4521 O.3 1 noname -0.1645 6 C1 2.4057 1.0722 -1.0620 C.3 1 noname 0.0911 7 C2 2.4405 -0.3683 -0.4979 C.3 1 noname 0.1069 8 O5 3.3868 -0.3020 0.5544 O.3 1 noname -0.3878 9 C3 1.1079 -0.9557 0.0534 C.3 1 noname 0.1112 10 O6 0.0580 -0.8488 -0.9180 O.3 1 noname -0.3874 11 C4 1.1702 -2.4784 0.4362 C.3 1 noname 0.1180 12 O7 -0.1505 -2.8802 0.7870 O.3 1 noname -0.3869 13 C5 2.0233 -2.9936 1.6448 C.3 1 noname 0.1677 14 O8 1.7545 -4.3701 1.9334 O.3 1 noname -0.3798 15 C6 3.4521 -2.9911 1.4854 C.2 1 noname 0.1513 16 O9 4.1798 -2.4253 2.2906 O.2 1 noname -0.2443 17 O10 4.0016 -3.6249 0.4276 O.3 1 noname -0.2099 18 H1 3.4837 2.7818 0.5580 H 1 noname 0.2283 19 H2 2.1530 4.0037 -1.9631 H 1 noname 0.2283 20 H3 2.1485 1.7520 -0.2497 H 1 noname 0.0605 21 H4 1.8133 1.0675 -1.9769 H 1 noname 0.0605 22 H5 2.7571 -1.0593 -1.2792 H 1 noname 0.0653 23 H6 3.6288 -1.1911 0.8236 H 1 noname 0.2106 24 H7 0.8487 -0.3333 0.9099 H 1 noname 0.0657 25 H8 -0.7860 -0.7629 -0.4688 H 1 noname 0.2106 26 H9 1.5753 -2.9415 -0.4635 H 1 noname 0.0662 27 H10 -0.2340 -2.9056 1.7430 H 1 noname 0.2107 28 H11 1.7866 -2.3311 2.4773 H 1 noname 0.0739 29 H12 1.7294 -4.4987 2.8844 H 1 noname 0.2113 30 H13 3.9359 -4.5743 0.5539 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