REMARK  Name = BDB015037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.036   1.670  -1.039  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.746   1.587   0.281  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        0.370   2.695   1.117  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1       -0.607   2.712   1.109  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.270   1.645   0.052  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        2.818   0.509  -0.714  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.195   0.792  -1.173  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.288   0.246  -0.287  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.141  -1.063   0.201  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        6.161  -1.657   0.946  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.324  -0.936   1.219  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.471   0.368   0.743  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        3.851  -1.763  -0.127  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.459   0.958  -0.016  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.696  -0.761   0.044  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.447   1.668  -0.776  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.095   0.473  -0.638  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -3.451   0.587  -0.309  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -4.265  -0.543  -0.122  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1       -3.676  -1.807  -0.277  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -2.326  -1.931  -0.610  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.537  -0.793  -0.790  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -5.689  -0.405   0.224  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -6.231  -1.066   1.340  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -7.584  -0.936   1.669  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -8.413  -0.141   0.883  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1      -10.078   0.020   1.286  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -7.902   0.524  -0.227  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.548   0.392  -0.553  0.00  0.00    +0.010 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7