REMARK  Name = BDB005623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.705   1.368   0.081  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.295   0.195  -0.428  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.440  -0.730  -1.051  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -0.953  -1.930  -1.556  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.341  -2.602  -1.999  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.268  -2.283  -1.491  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.192  -1.310  -0.852  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.651  -1.686  -0.810  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.476  -0.790   0.122  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.061   0.671  -0.017  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.628   0.773   0.206  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.257   1.725   0.215  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -2.665  -3.350  -1.950  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.932  -0.489  -1.188  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.498   0.696  -0.703  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.743  -0.139  -0.356  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.664   1.628  -0.076  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.339   2.214   2.119  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.459   2.341   0.698  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.976   0.975  -0.878  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.840  -0.087  -0.321  0.00  0.00    -0.300 NA
ATOM     22  C   LIG    1        3.773  -0.089   1.146  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.230   0.110  -0.794  0.00  0.00    +0.100 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.155  -1.077  -0.503  0.00  0.00    +0.124 C 
ATOM     25 CL   LIG    1        7.767  -0.796  -1.214  0.00  0.00    -0.124 Cl
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 5