REMARK  Name = BDB032033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.318  -1.941  -0.495  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.442  -0.858  -0.245  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.746  -1.017  -0.468  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.773  -0.071  -0.289  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -4.012  -0.715  -0.526  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.708  -2.013  -0.978  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -4.660  -3.043  -1.279  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.128  -0.254  -0.353  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.329  -2.184  -0.905  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -1.506  -3.238  -1.132  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -0.175  -3.129  -0.930  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.626   1.200   0.389  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1       -1.270   1.894   0.280  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -1.483   3.305   0.456  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -2.894   3.548   0.407  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -3.535   2.295  -0.146  0.00  0.00    +0.055 C 
ENDBRANCH   4  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.695  -1.937  -0.286  0.00  0.00    -0.283 N 
ATOM     18  H   LIG    1        2.054  -2.859  -0.492  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1        4.358  -2.740   0.566  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1        3.926  -1.301   0.459  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        2.634  -0.943   0.021  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        2.321   0.421  -0.021  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        3.248   1.416   0.344  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.533   1.055   0.763  0.00  0.00    +0.094 A 
ATOM     25  N   LIG    1        5.433   1.991   1.112  0.00  0.00    -0.149 NA
ATOM     26  N   LIG    1        5.113   3.323   1.070  0.00  0.00    -0.157 NA
ATOM     27  C   LIG    1        3.882   3.693   0.676  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        2.922   2.775   0.305  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1        4.851  -0.296   0.811  0.00  0.00    +0.035 A 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3