@MOLECULE DB01799 29 28 1 SMALL USER_CHARGES @ATOM 1 P1 5.9482 0.6428 0.1208 P 1 noname 0.0662 2 O1 5.6984 -0.3304 1.1523 O.2 1 noname -0.1858 3 O2 6.4867 1.9380 0.7565 O.3 1 noname -0.0281 4 O3 4.6370 0.9452 -0.6281 O.3 1 noname -0.1475 5 O4 6.9882 0.0861 -0.8692 O.3 1 noname -0.1576 6 P2 7.7979 1.6356 1.5055 P 1 noname 0.0622 7 C1 4.8834 1.9049 -1.6453 C.3 1 noname 0.0628 8 O5 8.3014 2.8467 2.0999 O.2 1 noname -0.1871 9 O6 8.8379 1.0789 0.5155 O.3 1 noname -0.1585 10 O7 7.5307 0.5949 2.6086 O.3 1 noname -0.1585 11 C2 3.5807 2.2053 -2.3894 C.3 1 noname -0.0238 12 C3 3.8461 3.2393 -3.4854 C.3 1 noname -0.0187 13 C4 2.5434 3.5397 -4.2294 C.3 1 noname 0.0458 14 C5 4.3811 4.5261 -2.8538 C.3 1 noname -0.0602 15 O8 2.0469 2.3454 -4.8157 O.3 1 noname -0.3959 16 H1 7.7173 -0.3042 -0.3816 H 1 noname 0.2283 17 H2 5.1901 2.8107 -1.1224 H 1 noname 0.0577 18 H3 5.5666 1.4204 -2.3429 H 1 noname 0.0577 19 H4 9.5669 0.6886 1.0030 H 1 noname 0.2283 20 H5 7.6192 -0.2885 2.2433 H 1 noname 0.2283 21 H6 3.2852 1.2838 -2.8911 H 1 noname 0.0294 22 H7 2.9087 2.6741 -1.6706 H 1 noname 0.0294 23 H8 4.5822 2.8452 -4.1861 H 1 noname 0.0324 24 H9 1.7951 3.8356 -3.4942 H 1 noname 0.0566 25 H10 2.7764 4.1990 -5.0656 H 1 noname 0.0566 26 H11 4.3452 4.4399 -1.7678 H 1 noname 0.0234 27 H12 5.4113 4.6859 -3.1718 H 1 noname 0.0234 28 H13 3.7677 5.3691 -3.1718 H 1 noname 0.0234 29 H14 1.7916 1.7313 -4.1234 H 1 noname 0.2100 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 13 15 1 15 5 16 1 16 7 17 1 17 7 18 1 18 9 19 1 19 10 20 1 20 11 21 1 21 11 22 1 22 12 23 1 23 13 24 1 24 13 25 1 25 14 26 1 26 14 27 1 27 14 28 1 28 15 29 1 @SUBSTRUCTURE 1 noname 1