REMARK  Name = BDB056725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.851  -0.897   2.361  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.050  -0.299   3.273  0.00  0.00    -0.219 NA
ATOM      3  C   LIG    1        0.291  -0.303   3.066  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1        0.833  -0.926   1.937  0.00  0.00    +0.108 A 
ATOM      5  N   LIG    1        2.139  -1.037   1.523  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        2.106  -1.740   0.403  0.00  0.00    +0.148 A 
ATOM      7  N   LIG    1        0.808  -2.066   0.070  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1        0.394  -2.788  -1.111  0.00  0.00    +0.150 C 
ATOM      9  C   LIG    1       -0.025  -1.553   1.036  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -1.407  -1.564   1.221  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.201  -0.878   2.657  0.00  0.00    -0.438 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -6.706   1.767  -0.942  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.753   1.067  -0.018  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -6.085  -0.176   0.535  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -5.214  -0.810   1.424  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.003  -0.207   1.761  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -3.679   1.050   1.247  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -4.552   1.683   0.358  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        3.298  -2.105  -0.424  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.203  -1.433  -1.693  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.937  -0.276  -1.701  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.507   0.848  -0.998  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        4.294   2.002  -0.998  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        5.466   2.049  -1.762  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        5.864   0.933  -2.502  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.098  -0.233  -2.470  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        3.901   3.201  -0.223  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        4.118   4.337  -0.607  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        3.326   2.912   0.964  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        3.332   1.968   1.219  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7