REMARK  Name = BDB045520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.148  -1.366   1.899  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.042  -1.798   1.283  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1       -0.917  -2.674   1.933  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.625  -3.098   3.227  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.541  -2.656   3.852  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        0.892  -3.186   5.453  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        1.428  -1.798   3.196  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        3.711  -0.048   2.627  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        3.173   0.079   1.532  0.00  0.00    +0.252 C 
ATOM     10  N   LIG    1        1.985  -0.506   1.155  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1        1.656  -0.297   0.212  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.846   0.943   0.501  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        3.322   1.222  -0.773  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        4.032   2.042  -1.662  0.00  0.00    +0.061 A 
ATOM     15 BR   LIG    1        3.338   2.428  -3.386  0.00  0.00    -0.046 Br
ATOM     16  C   LIG    1        5.259   2.591  -1.300  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        5.779   2.318  -0.039  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1        7.295   2.993   0.418  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        5.086   1.505   0.856  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     20  O   LIG    1        2.112   0.694  -1.153  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        1.929   0.987  -2.069  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   2  22
ATOM     22  O   LIG    1       -0.296  -1.386  -0.010  0.00  0.00    -0.453 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.476  -0.699  -0.220  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.270  -1.042  -1.327  0.00  0.00    +0.091 A 
ATOM     25 CL   LIG    1       -1.751  -2.356  -2.344  0.00  0.00    -0.079 Cl
ATOM     26  C   LIG    1       -3.471  -0.337  -1.607  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.837   0.731  -0.749  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.017   1.454  -0.989  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.846   1.141  -2.065  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.505   0.099  -2.917  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.017   1.071   0.338  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -4.335  -0.629  -2.692  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -1.842   0.370   0.598  0.00  0.00    +0.048 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5