REMARK  Name = BDB040470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.806   0.728   0.951  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.586  -0.338   1.417  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.874  -0.561   0.913  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        3.743  -1.900   1.577  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.411   0.277  -0.081  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.616   1.344  -0.543  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.332   1.563  -0.038  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.797   0.108  -0.689  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.040  -1.278  -1.282  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        4.176  -1.919  -1.878  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.324  -1.762  -1.199  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        6.475  -2.672  -1.612  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        7.458  -1.070  -0.860  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        8.573  -1.554  -1.035  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        7.263   0.340  -0.360  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        5.902   0.508   0.295  0.00  0.00    +0.027 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.594   0.933   1.460  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.904   0.458   0.787  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.549   0.286   0.592  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.215  -0.473   0.013  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -3.322   1.212   1.665  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -3.389  -0.230  -1.615  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.833  -0.381  -0.141  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -3.649  -1.861   0.260  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.298   0.097  -0.046  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.621   1.436  -0.328  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -6.943   1.853  -0.259  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1       -7.971   1.042   0.058  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1       -7.654  -0.238   0.335  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -6.362  -0.748   0.298  0.00  0.00    +0.024 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5