@MOLECULE DB02082 49 51 1 SMALL USER_CHARGES @ATOM 1 P1 7.6561 1.5309 -3.2000 P 1 noname 0.0607 2 O1 8.4207 2.6984 -3.6559 O.2 1 noname -0.1865 3 O2 7.7015 1.3631 -1.6161 O.3 1 noname -0.0417 4 O3 8.4358 0.3164 -3.8913 O.3 1 noname -0.1461 5 O4 6.1941 1.5396 -3.8171 O.3 1 noname -0.1581 6 P2 6.7843 2.3295 -0.7328 P 1 noname 0.0335 7 C1 7.7307 -0.9075 -3.7165 C.3 1 noname 0.0915 8 O5 6.6555 1.6538 0.5831 O.2 1 noname -0.2114 9 O6 5.3202 2.3674 -1.3140 O.3 1 noname -0.1768 10 N1 7.3704 3.8244 -0.4447 N.3 1 noname 0.1647 11 C2 8.6118 -1.8618 -4.5042 C.3 1 noname 0.1130 12 P3 8.2500 4.6127 -1.5018 P 1 noname -0.0192 13 O7 9.9201 -1.9098 -3.9509 O.3 1 noname -0.3483 14 C3 7.9652 -3.2233 -4.4087 C.3 1 noname 0.1127 15 O8 8.6147 5.8964 -0.9607 O.2 1 noname -0.2223 16 O9 7.4402 4.8126 -2.7964 O.3 1 noname -0.1837 17 O10 9.5244 3.8059 -1.8128 O.3 1 noname -0.1837 18 C4 10.3784 -3.1824 -4.3947 C.3 1 noname 0.1577 19 O11 7.2821 -3.4756 -5.6433 O.3 1 noname -0.3873 20 C5 9.1770 -4.1051 -4.1055 C.3 1 noname 0.1257 21 N2 11.6429 -3.4781 -3.7811 N.3 1 noname -0.0064 22 O12 9.2161 -5.2800 -4.8947 O.3 1 noname -0.3857 23 C6 12.7517 -2.7396 -3.9419 C.2 1 noname -0.0115 24 C7 11.9745 -4.5067 -2.9523 C.2 1 noname -0.0358 25 N3 13.0168 -1.6083 -4.6515 N.3 1 noname 0.0929 26 C8 13.7480 -3.3373 -3.1783 C.2 1 noname 0.0554 27 N4 13.2640 -4.4288 -2.5806 N.2 1 noname -0.2138 28 C9 14.2329 -1.0642 -4.6161 C.2 1 noname 0.0423 29 C10 15.0141 -2.7380 -3.1436 C.2 1 noname 0.0561 30 N5 15.2066 -1.6054 -3.8758 N.2 1 noname -0.1701 31 N6 14.4753 -0.0139 -5.2886 N.2 1 noname -0.2387 32 O13 16.0089 -3.2637 -2.3920 O.3 1 noname -0.2485 33 H1 5.5474 1.5434 -3.1076 H 1 noname 0.2283 34 H2 7.7724 -1.1643 -2.6580 H 1 noname 0.0605 35 H3 6.7668 -0.8073 -4.2154 H 1 noname 0.0605 36 H4 4.6891 2.3838 -0.5908 H 1 noname 0.2273 37 H5 7.1788 4.2855 0.4332 H 1 noname 0.1539 38 H6 8.7689 -1.5360 -5.5324 H 1 noname 0.0657 39 H7 7.1530 -3.3805 -3.6989 H 1 noname 0.0657 40 H8 7.2097 3.9567 -3.1650 H 1 noname 0.2273 41 H9 9.9436 3.5405 -0.9910 H 1 noname 0.2273 42 H10 10.6851 -3.2244 -5.4398 H 1 noname 0.0852 43 H11 7.2067 -4.4229 -5.7796 H 1 noname 0.2106 44 H12 9.1565 -4.5570 -3.1138 H 1 noname 0.0674 45 H13 9.2418 -6.0497 -4.3215 H 1 noname 0.2107 46 H14 11.2935 -5.2933 -2.6273 H 1 noname 0.1016 47 H15 12.3018 -1.1668 -5.2118 H 1 noname 0.0682 48 H16 14.6529 0.7556 -4.6589 H 1 noname 0.1893 49 H17 15.7997 -3.1531 -1.4616 H 1 noname 0.2199 @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 11 7 1 11 10 12 1 12 11 13 1 13 11 14 1 14 12 15 2 15 12 16 1 16 12 17 1 17 13 18 1 18 14 19 1 19 14 20 1 20 18 21 1 21 18 20 1 22 20 22 1 23 21 23 1 24 21 24 1 25 23 25 1 26 23 26 2 27 24 27 2 28 25 28 1 29 26 29 1 30 26 27 1 31 28 30 1 32 28 31 2 33 29 32 1 34 29 30 2 35 5 33 1 36 7 34 1 37 7 35 1 38 9 36 1 39 10 37 1 40 11 38 1 41 14 39 1 42 16 40 1 43 17 41 1 44 18 42 1 45 19 43 1 46 20 44 1 47 22 45 1 48 24 46 1 49 25 47 1 50 31 48 1 51 32 49 1 @SUBSTRUCTURE 1 noname 1