@MOLECULE DB02098 42 44 1 SMALL USER_CHARGES @ATOM 1 P1 4.8794 3.0069 0.6809 P 1 noname 0.0169 2 O1 4.5011 3.8502 1.7852 O.2 1 noname -0.1962 3 O2 4.5032 1.5475 0.9971 O.3 1 noname -0.1471 4 O3 6.3994 3.1079 0.4551 O.3 1 noname -0.1643 5 O4 4.1401 3.4637 -0.5905 O.3 1 noname -0.1643 6 C1 4.8762 0.7159 -0.0918 C.3 1 noname 0.1449 7 C2 4.5038 -0.7285 0.2211 C.3 1 noname 0.1603 8 C3 3.9566 0.9797 -1.2669 C.3 1 noname 0.1140 9 O5 4.5104 -1.3602 -1.0587 O.3 1 noname -0.3482 10 N1 5.3782 -1.2970 1.1826 N.3 1 noname 0.0257 11 O6 2.6646 1.3240 -0.7888 O.3 1 noname -0.3873 12 C4 3.9046 -0.4042 -1.9323 C.3 1 noname 0.1130 13 C5 6.5609 -1.9033 0.9738 C.2 1 noname 0.1238 14 C6 5.1749 -1.2321 2.5187 C.2 1 noname -0.0362 15 C7 4.6726 -0.3634 -3.2549 C.3 1 noname 0.0914 16 N2 7.2075 -2.2196 -0.1902 N.2 1 noname -0.2441 17 C8 7.0918 -2.1649 2.2417 C.2 1 noname 0.0254 18 N3 6.2334 -1.7614 3.1808 N.2 1 noname -0.2172 19 O7 4.6245 -1.6424 -3.8698 O.3 1 noname -0.1525 20 C9 8.4398 -2.8061 -0.1244 C.2 1 noname 0.0503 21 C10 8.3694 -2.7666 2.3025 C.2 1 noname 0.0729 22 P2 5.3975 -1.6013 -5.2011 P 1 noname 0.0149 23 N4 8.9861 -3.0556 1.1065 N.2 1 noname -0.2575 24 N5 8.9555 -3.0438 3.4752 N.3 1 noname -0.1031 25 O8 5.3488 -2.8984 -5.8247 O.2 1 noname -0.1967 26 O9 6.8640 -1.2162 -4.9315 O.3 1 noname -0.1645 27 O10 4.7563 -0.5583 -6.1351 O.3 1 noname -0.1645 28 H1 6.8476 3.1376 1.3035 H 1 noname 0.2283 29 H2 3.8515 2.6942 -1.0867 H 1 noname 0.2283 30 H3 5.9336 0.9377 -0.2359 H 1 noname 0.0688 31 H4 3.5448 -0.9154 0.7043 H 1 noname 0.0853 32 H5 4.2305 1.8206 -1.9040 H 1 noname 0.0658 33 H6 2.6678 1.3231 0.1712 H 1 noname 0.2106 34 H7 2.8797 -0.7412 -2.0877 H 1 noname 0.0657 35 H8 4.2869 -0.8141 2.9929 H 1 noname 0.1016 36 H9 4.1422 0.3053 -3.9328 H 1 noname 0.0605 37 H10 5.7246 -0.1886 -3.0292 H 1 noname 0.0605 38 H11 8.9765 -3.0697 -1.0358 H 1 noname 0.1062 39 H12 9.9588 -3.1483 3.5261 H 1 noname 0.1258 40 H13 8.3940 -3.1483 4.3082 H 1 noname 0.1258 41 H14 7.0155 -1.1764 -3.9844 H 1 noname 0.2283 42 H15 4.3355 0.1261 -5.6096 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 12 1 13 10 13 1 14 10 14 1 15 12 15 1 16 13 16 2 17 13 17 1 18 14 18 2 19 15 19 1 20 16 20 1 21 17 21 2 22 17 18 1 23 19 22 1 24 20 23 2 25 21 24 1 26 21 23 1 27 22 25 2 28 22 26 1 29 22 27 1 30 4 28 1 31 5 29 1 32 6 30 1 33 7 31 1 34 8 32 1 35 11 33 1 36 12 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 20 38 1 41 24 39 1 42 24 40 1 43 26 41 1 44 27 42 1 @SUBSTRUCTURE 1 noname 1