REMARK  Name = BDB006058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.673  -0.721   0.311  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.474  -0.639   0.071  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.635   0.370   0.732  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.290   0.405   0.411  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.403   1.325   0.989  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.022   1.369   0.672  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.595   0.496  -0.200  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.423  -0.422  -0.804  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -0.987  -1.076  -1.447  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.921   2.230   1.917  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.282   2.209   2.252  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.760  -0.554  -0.566  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.504  -1.448  -1.147  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.143   1.278   1.661  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.833  -1.474  -0.820  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.398  -2.178  -1.286  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.880   0.501  -0.598  0.00  0.00    +0.156 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.259  -0.857  -1.032  0.00  0.00    -0.305 NA
ATOM     19  H   LIG    1        1.258  -1.467  -0.213  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.592  -0.886  -1.639  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.712  -0.692  -0.644  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1        4.079  -1.732   0.225  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        5.105  -1.554   1.160  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        5.493  -2.887   2.188  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.774  -0.328   1.235  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        7.049  -0.034   2.363  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.413   0.713   0.375  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.388   0.533  -0.558  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4