@MOLECULE DB03340 29 28 1 SMALL USER_CHARGES @ATOM 1 P1 0.8355 -0.1961 -1.2903 P 1 noname 0.0293 2 O1 0.8863 1.1083 -0.6825 O.2 1 noname -0.2580 3 O2 1.0842 -0.0669 -2.8046 O.3 1 noname -0.2181 4 C1 -0.6502 -0.8658 -1.0321 C.3 1 noname 0.0970 5 C2 1.9967 -1.1596 -0.6226 C.3 1 noname 0.0434 6 N1 -1.6790 -0.0121 -1.6238 N.3 1 noname -0.3176 7 C3 -0.7041 -2.2518 -1.6779 C.3 1 noname 0.0597 8 C4 3.3744 -0.5386 -0.8621 C.3 1 noname 0.0528 9 C5 -2.0187 -2.8444 -1.4494 C.2 1 noname 0.1359 10 C6 3.6214 -0.4102 -2.3665 C.2 1 noname 0.1366 11 C7 4.4018 -1.3912 -0.2712 C.3 1 noname -0.0524 12 O3 -2.2773 -3.9828 -1.8961 O.2 1 noname -0.2552 13 O4 -2.9550 -2.1628 -0.7556 O.3 1 noname -0.2183 14 O5 3.8245 0.7145 -2.8728 O.2 1 noname -0.2546 15 O6 3.6199 -1.5116 -3.1472 O.3 1 noname -0.2179 16 H1 1.1481 -0.9420 -3.1943 H 1 noname 0.2237 17 H2 -0.9326 -0.9621 0.0163 H 1 noname 0.0598 18 H3 1.8596 -1.1542 0.4587 H 1 noname 0.0402 19 H4 2.0055 -2.1044 -1.1661 H 1 noname 0.0402 20 H5 -1.4759 0.9559 -1.8281 H 1 noname 0.1194 21 H6 -2.5930 -0.3904 -1.8281 H 1 noname 0.1194 22 H7 -0.6198 -2.1161 -2.7561 H 1 noname 0.0396 23 H8 0.0072 -2.8882 -1.1514 H 1 noname 0.0396 24 H9 3.4490 0.4335 -0.3748 H 1 noname 0.0413 25 H10 4.3375 -1.3378 0.8156 H 1 noname 0.0239 26 H11 4.2493 -2.4210 -0.5941 H 1 noname 0.0239 27 H12 5.3859 -1.0512 -0.5941 H 1 noname 0.0239 28 H13 -2.8009 -2.2750 0.1853 H 1 noname 0.2213 29 H14 3.6189 -2.2961 -2.5939 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 4 6 1 6 4 7 1 7 5 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 2 12 9 13 1 13 10 14 2 14 10 15 1 15 3 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 13 28 1 28 15 29 1 @SUBSTRUCTURE 1 noname 1