REMARK  Name = BDB014367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.169  -0.875   1.586  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1        0.495  -1.700   0.561  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -0.649  -2.531   1.184  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.591  -1.688   1.961  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.873  -0.927   3.011  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.261  -0.061   2.414  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.541  -1.040   1.236  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.582  -0.402   1.858  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.734  -0.386   2.854  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.394   0.153   0.903  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -3.802  -0.212  -0.303  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -4.402   0.202  -1.509  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -5.580   0.970  -1.442  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.148   1.314  -0.212  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.564   0.909   0.993  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -2.664  -0.966  -0.069  0.00  0.00    -0.214 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -3.834  -0.143  -2.833  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -4.363   0.227  -3.875  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -2.694  -0.894  -2.852  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -2.264  -1.212  -1.986  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -2.292  -1.155  -3.739  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  25
ATOM     22  C   LIG    1        4.487   1.192   0.157  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        3.996   0.053  -0.432  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1        2.912  -0.628   0.013  0.00  0.00    -0.221 NA
ATOM     25  C   LIG    1        2.268  -0.167   1.097  0.00  0.00    +0.218 A 
ATOM     26  N   LIG    1        2.676   0.934   1.745  0.00  0.00    -0.221 NA
ATOM     27  C   LIG    1        3.761   1.581   1.265  0.00  0.00    +0.139 A 
BRANCH  22  30
ATOM     28  C   LIG    1        6.443   0.778  -2.261  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        6.504   1.873  -1.240  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1        5.598   1.963  -0.227  0.00  0.00    -0.283 N 
ATOM     31  H   LIG    1        5.806   2.772   0.351  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        7.389   2.731  -1.297  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH   1  25
TORSDOF 4