@MOLECULE DB01812 42 44 1 SMALL USER_CHARGES @ATOM 1 P1 7.1119 -1.7681 0.2059 P 1 noname 0.0165 2 O1 8.2186 -1.4453 1.0689 O.2 1 noname -0.1963 3 O2 5.8385 -1.0729 0.7224 O.3 1 noname -0.1482 4 O3 7.4174 -1.2836 -1.2236 O.3 1 noname -0.1643 5 O4 6.8964 -3.2929 0.1962 O.3 1 noname -0.1643 6 C1 4.7472 -1.3912 -0.1286 C.3 1 noname 0.1318 7 C2 3.4974 -0.7090 0.3783 C.3 1 noname 0.1271 8 C3 4.3823 -2.8714 0.0399 C.3 1 noname 0.1143 9 O5 3.8482 0.5144 1.0081 O.3 1 noname -0.3856 10 C4 3.0507 -1.7123 1.4321 C.3 1 noname 0.1590 11 O6 3.1701 -2.9781 0.7931 O.3 1 noname -0.3482 12 C5 4.1847 -3.5079 -1.3373 C.3 1 noname 0.0915 13 N1 1.7679 -1.3878 1.9534 N.3 1 noname 0.0257 14 O7 3.8470 -4.8783 -1.1813 O.3 1 noname -0.1525 15 C6 1.5512 -0.5356 2.9754 C.2 1 noname 0.1238 16 C7 0.5485 -1.7884 1.4853 C.2 1 noname -0.0362 17 P2 3.6481 -5.5189 -2.5676 P 1 noname 0.0149 18 N2 2.4164 0.1424 3.7914 N.2 1 noname -0.2441 19 C8 0.1578 -0.4065 3.0785 C.2 1 noname 0.0254 20 N3 -0.4352 -1.1836 2.1760 N.2 1 noname -0.2172 21 O8 3.3055 -6.9086 -2.4094 O.2 1 noname -0.1967 22 O9 4.9513 -5.4007 -3.3795 O.3 1 noname -0.1645 23 O10 2.5123 -4.7917 -3.3110 O.3 1 noname -0.1645 24 C9 1.9126 0.9997 4.7411 C.2 1 noname 0.0503 25 C10 -0.3551 0.4812 4.0540 C.2 1 noname 0.0729 26 N4 0.5528 1.1460 4.8364 N.2 1 noname -0.2575 27 N5 -1.6737 0.6641 4.2065 N.3 1 noname -0.1031 28 H1 7.5403 -2.0421 -1.7991 H 1 noname 0.2283 29 H2 6.8508 -3.6154 1.0992 H 1 noname 0.2283 30 H3 5.0860 -1.0807 -1.1169 H 1 noname 0.0671 31 H4 2.7625 -0.4147 -0.3710 H 1 noname 0.0674 32 H5 5.1395 -3.4053 0.6141 H 1 noname 0.0657 33 H6 3.8166 0.4042 1.9613 H 1 noname 0.2107 34 H7 3.6191 -1.7617 2.3608 H 1 noname 0.0853 35 H8 3.3140 -3.0448 -1.8015 H 1 noname 0.0605 36 H9 5.1451 -3.5020 -1.8529 H 1 noname 0.0605 37 H10 0.3829 -2.4945 0.6716 H 1 noname 0.1016 38 H11 5.6973 -5.3330 -2.7791 H 1 noname 0.2283 39 H12 1.9083 -4.4050 -2.6728 H 1 noname 0.2283 40 H13 2.5776 1.5521 5.4049 H 1 noname 0.1062 41 H14 -2.0505 1.5994 4.2639 H 1 noname 0.1258 42 H15 -2.2909 -0.1334 4.2639 H 1 noname 0.1258 @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 10 13 1 13 10 11 1 14 12 14 1 15 13 15 1 16 13 16 1 17 14 17 1 18 15 18 2 19 15 19 1 20 16 20 2 21 17 21 2 22 17 22 1 23 17 23 1 24 18 24 1 25 19 25 2 26 19 20 1 27 24 26 2 28 25 27 1 29 25 26 1 30 4 28 1 31 5 29 1 32 6 30 1 33 7 31 1 34 8 32 1 35 9 33 1 36 10 34 1 37 12 35 1 38 12 36 1 39 16 37 1 40 22 38 1 41 23 39 1 42 24 40 1 43 27 41 1 44 27 42 1 @SUBSTRUCTURE 1 noname 1