REMARK  Name = BDB063583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.244   0.659   0.651  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        1.976   0.144  -0.378  0.00  0.00    +0.312 C 
ATOM      3  O   LIG    1        1.854   0.411  -1.564  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        2.905  -0.731   0.155  0.00  0.00    -0.272 N 
ATOM      5  C   LIG    1        2.850  -0.763   1.597  0.00  0.00    +0.206 C 
ATOM      6  C   LIG    1        1.689   0.182   1.850  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        1.254   0.466   2.958  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        0.140   1.574   0.488  0.00  0.00    +0.153 C 
BRANCH   8  15
ATOM      9  C   LIG    1       -3.896  -0.538   2.601  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -3.143  -0.193   1.349  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1       -3.608  -0.537   0.069  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1       -2.810  -0.303  -1.064  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -3.206  -0.758  -2.439  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -1.608   0.406  -0.916  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -1.171   0.838   0.342  0.00  0.00    -0.029 A 
ATOM     16  C   LIG    1       -1.937   0.516   1.468  0.00  0.00    +0.012 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -4.800  -1.199  -0.073  0.00  0.00    -0.475 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -5.963  -0.360  -0.188  0.00  0.00    +0.200 C 
ATOM     19  C   LIG    1       -6.961  -0.855   0.877  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -6.610  -0.665  -1.553  0.00  0.00    +0.067 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -5.827   1.178  -0.024  0.00  0.00    +0.348 C 
ATOM     22  O   LIG    1       -6.049   1.828   0.988  0.00  0.00    -0.247 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.402   1.816  -1.137  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -5.295   2.745  -0.846  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   4  25
ATOM     25  C   LIG    1        3.928  -1.413  -0.609  0.00  0.00    +0.145 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.265  -0.721  -0.507  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.493   0.477  -1.197  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        6.721   1.133  -1.095  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        7.749   0.601  -0.303  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        7.516  -0.592   0.396  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        6.286  -1.248   0.294  0.00  0.00    +0.006 A 
BRANCH  29  32
ATOM     32  C   LIG    1        9.069   1.320  -0.174  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1        9.080   2.199   0.866  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.397   2.046  -1.280  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       10.118   0.477   0.039  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 9