@MOLECULE DB03956 39 39 1 SMALL USER_CHARGES @ATOM 1 P1 -1.1071 -1.4104 0.7138 P 1 noname 0.0165 2 O1 -2.4164 -1.0723 0.2187 O.2 1 noname -0.1963 3 O2 -0.6522 -0.3468 1.7304 O.3 1 noname -0.1483 4 O3 -1.1577 -2.7880 1.4001 O.3 1 noname -0.1643 5 O4 -0.1110 -1.4579 -0.4598 O.3 1 noname -0.1643 6 C1 0.6333 -0.6787 2.2164 C.3 1 noname 0.1316 7 C2 1.6542 -0.7294 1.0282 C.3 1 noname 0.1315 8 C3 0.9201 0.3203 3.3685 C.3 1 noname 0.1137 9 O5 1.7870 -2.0685 0.5750 O.3 1 noname -0.1483 10 C4 3.0783 -0.1404 1.3492 C.3 1 noname 0.1125 11 O6 1.5906 -0.3535 4.4233 O.3 1 noname -0.3873 12 C5 1.7514 1.5776 2.9400 C.3 1 noname 0.1303 13 P2 2.2972 -2.9525 1.7282 P 1 noname 0.0165 14 O7 3.8088 0.0165 0.1416 O.3 1 noname -0.3873 15 C6 3.0552 1.2258 2.1295 C.3 1 noname 0.1124 16 O8 2.0994 2.3303 4.0927 O.3 1 noname -0.1483 17 O9 2.4319 -4.3106 1.2687 O.2 1 noname -0.1963 18 O10 3.6665 -2.4339 2.2055 O.3 1 noname -0.1643 19 O11 1.2941 -2.9027 2.8957 O.3 1 noname -0.1643 20 O12 4.1819 1.2981 2.9907 O.3 1 noname -0.3873 21 P3 0.8176 2.7844 4.8155 P 1 noname 0.0165 22 O13 1.1704 3.5477 5.9844 O.2 1 noname -0.1963 23 O14 -0.0246 3.6578 3.8670 O.3 1 noname -0.1643 24 O15 0.0006 1.5488 5.2366 O.3 1 noname -0.1643 25 H1 -1.1534 -2.6712 2.3530 H 1 noname 0.2283 26 H2 0.0779 -2.3724 -0.6824 H 1 noname 0.2283 27 H3 0.6158 -1.6879 2.6280 H 1 noname 0.0671 28 H4 1.2295 -0.1750 0.1913 H 1 noname 0.0671 29 H5 -0.0344 0.6468 3.7814 H 1 noname 0.0658 30 H6 3.6383 -0.8702 1.9338 H 1 noname 0.0657 31 H7 1.5113 -1.3020 4.2986 H 1 noname 0.2106 32 H8 1.1192 2.2377 2.3461 H 1 noname 0.0670 33 H9 4.0252 -0.8477 -0.2161 H 1 noname 0.2106 34 H10 3.1837 2.0120 1.3855 H 1 noname 0.0657 35 H11 3.6887 -2.4255 3.1652 H 1 noname 0.2283 36 H12 1.0666 -3.7970 3.1604 H 1 noname 0.2283 37 H13 3.8880 1.2792 3.9044 H 1 noname 0.2106 38 H14 -0.5865 4.2406 4.3830 H 1 noname 0.2283 39 H15 -0.0327 1.4985 6.1947 H 1 noname 0.2283 @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 9 13 1 13 10 14 1 14 10 15 1 15 12 16 1 16 12 15 1 17 13 17 2 18 13 18 1 19 13 19 1 20 15 20 1 21 16 21 1 22 21 22 2 23 21 23 1 24 21 24 1 25 4 25 1 26 5 26 1 27 6 27 1 28 7 28 1 29 8 29 1 30 10 30 1 31 11 31 1 32 12 32 1 33 14 33 1 34 15 34 1 35 18 35 1 36 19 36 1 37 20 37 1 38 23 38 1 39 24 39 1 @SUBSTRUCTURE 1 noname 1