REMARK  Name = BDB022231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.350  -0.953   1.005  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.111  -0.681   0.910  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.876  -0.522   2.081  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.244  -0.229   1.966  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.858  -0.117   0.715  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.132  -0.317  -0.456  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.259  -0.687   3.357  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        1.041  -0.544   4.574  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.075  -1.035   3.476  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.654  -1.238   4.542  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.762  -0.595  -0.340  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.859  -1.147   2.229  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.084  -0.982  -0.181  0.00  0.00    -0.335 N 
ATOM     14  H   LIG    1       -1.772  -0.241  -0.814  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.884  -1.696  -1.656  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -3.546  -1.082  -0.296  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.170   0.302  -0.175  0.00  0.00    +0.064 A 
ATOM     18  N   LIG    1       -3.681   1.281  -0.979  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -4.239   2.494  -0.844  0.00  0.00    +0.221 A 
ATOM     20  N   LIG    1       -5.226   2.819   0.003  0.00  0.00    -0.244 NA
ATOM     21  C   LIG    1       -5.676   1.821   0.783  0.00  0.00    +0.114 A 
ATOM     22  C   LIG    1       -5.185   0.536   0.736  0.00  0.00    +0.045 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.695  -0.199  -1.741  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.224  -0.784  -2.430  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.825   0.510  -2.209  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.588   0.039  -3.293  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        5.710   0.767  -3.670  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        6.736   0.309  -4.976  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.124   1.902  -3.063  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.382   2.338  -2.029  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.249   1.684  -1.572  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        4.225  -1.154  -3.989  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        3.876  -2.118  -4.532  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6