REMARK  Name = BDB058683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.383  -4.191  -0.109  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.947  -2.827   0.119  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.138  -1.627   0.411  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.198  -1.650   0.488  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.142  -0.539   0.540  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.911   0.635   0.758  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.361  -1.210   0.335  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.225  -2.572   0.081  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.668  -0.658   0.347  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.782  -1.479   0.111  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        7.082  -0.959   0.117  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        7.307   0.399   0.361  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1        6.201   1.221   0.600  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.900   0.700   0.593  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  P   LIG    1        8.945   1.037   0.334  0.00  0.00    +0.358 P 
ATOM     16  O   LIG    1       10.086   0.171   0.759  0.00  0.00    -0.253 OA
BRANCH  15  17
ATOM     17  O   LIG    1        8.944   2.429   1.135  0.00  0.00    -0.321 OA
ATOM     18  H   LIG    1        9.861   2.753   1.224  0.00  0.00    +0.220 HD
ENDBRANCH  15  17
BRANCH  15  19
ATOM     19  O   LIG    1        9.155   1.622  -1.149  0.00  0.00    -0.321 OA
ATOM     20  H   LIG    1        8.321   1.836  -1.604  0.00  0.00    +0.220 HD
ENDBRANCH  15  19
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  21
ATOM     21  C   LIG    1       -1.052  -0.550   0.765  0.00  0.00    +0.129 A 
ATOM     22  O   LIG    1       -2.328  -0.507   0.241  0.00  0.00    -0.455 OA
ATOM     23  C   LIG    1       -2.950   0.633   0.655  0.00  0.00    +0.138 A 
ATOM     24  C   LIG    1       -2.106   1.329   1.488  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -0.911   0.573   1.568  0.00  0.00    +0.050 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.308   0.825   0.153  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.859   2.070  -0.168  0.00  0.00    +0.137 A 
ATOM     28  C   LIG    1       -6.179   2.221  -0.620  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -6.999   1.096  -0.769  0.00  0.00    -0.045 A 
ATOM     30  C   LIG    1       -8.411   1.270  -1.257  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -6.473  -0.177  -0.469  0.00  0.00    -0.047 A 
ATOM     32  C   LIG    1       -7.308  -1.421  -0.616  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -5.144  -0.293  -0.013  0.00  0.00    +0.017 A 
BRANCH  27  34
ATOM     34  N   LIG    1       -4.064   3.273  -0.080  0.00  0.00    +0.057 N 
ATOM     35  O   LIG    1       -4.248   3.992   0.911  0.00  0.00    -0.126 OA
ATOM     36  O   LIG    1       -3.285   3.506  -1.013  0.00  0.00    -0.126 OA
ENDBRANCH  27  34
ENDBRANCH  23  26
ENDBRANCH   4  21
TORSDOF 7