REMARK  Name = BDB058429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.722  -0.989  -1.761  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.022  -0.618  -0.604  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.988   0.349  -0.656  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.309   0.963  -1.865  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.622   0.591  -3.022  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.392  -0.370  -2.973  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.834  -2.010  -1.695  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -3.085  -1.373  -1.283  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -3.193  -0.478  -1.757  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -4.431  -0.012   1.887  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -4.053  -0.128   0.544  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.394  -1.273   0.079  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.178  -2.318   0.988  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.538  -2.199   2.335  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -4.156  -1.039   2.792  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -4.742   2.341   1.981  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -5.101   1.230   2.324  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -6.173   0.994   3.111  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -6.438   0.056   3.155  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        2.277   1.910  -2.056  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.792   2.590  -0.909  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.975   1.882  -0.283  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        4.866   1.125  -1.062  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        5.961   0.506  -0.467  0.00  0.00    +0.159 A 
ATOM     25  F   LIG    1        6.797  -0.220  -1.223  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        6.191   0.640   0.896  0.00  0.00    +0.158 A 
ATOM     27  F   LIG    1        7.247   0.044   1.466  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        5.330   1.399   1.682  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        4.228   2.024   1.093  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8