REMARK  Name = BDB032425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.081   0.835   1.201  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -1.603   0.459   1.996  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.638   0.349   3.342  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.451   0.392   3.982  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        0.767   0.551   3.340  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.781   0.687   1.949  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -0.437   0.629   1.265  0.00  0.00    +0.072 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -2.769   0.386   1.264  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.939   0.209   2.066  0.00  0.00    +0.234 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -6.502   0.087  -2.796  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -5.458  -0.261  -1.835  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -5.947  -1.260  -0.874  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.088  -1.306   0.387  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1       -5.168   0.025   1.158  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -5.378   1.214   0.199  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -4.857   0.925  -1.209  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1        2.629  -0.490   0.942  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.906  -1.155   0.670  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.776  -0.618   0.152  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.757   0.377   0.042  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        5.952   0.202  -0.711  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        6.162  -1.036  -1.359  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        7.341  -1.202  -2.123  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1        8.290  -0.257  -2.248  0.00  0.00    -0.239 NA
ATOM     25  C   LIG    1        8.075   0.912  -1.605  0.00  0.00    +0.133 A 
ATOM     26  C   LIG    1        5.199  -2.054  -1.203  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.948   1.192  -0.846  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1        6.833   2.753  -0.109  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        4.039  -1.850  -0.451  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1        7.607  -2.381  -2.828  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        8.493  -2.231  -3.307  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        6.864  -2.569  -3.494  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7