REMARK  Name = BDB036920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.862  -0.136   0.647  0.00  0.00    -0.217 N 
ATOM      2  C   LIG    1       -1.090  -0.661   1.913  0.00  0.00    +0.268 A 
ATOM      3  O   LIG    1       -2.179  -1.048   2.328  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        0.084  -0.735   2.804  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        1.297  -0.389   2.371  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.405   0.054   0.964  0.00  0.00    +0.092 A 
ATOM      7  N   LIG    1        0.391   0.179   0.163  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1       -5.884  -0.262  -1.601  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.727  -0.232  -1.192  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -4.324   0.702  -0.272  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1       -5.038   1.335   0.062  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1       -3.054   0.922   0.219  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -2.842   1.884   0.955  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -1.964  -0.020  -0.308  0.00  0.00    +0.197 C 
ATOM     15  C   LIG    1       -2.548  -1.371  -0.719  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -3.660  -1.154  -1.733  0.00  0.00    +0.099 C 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  C   LIG    1        2.767   0.395   0.467  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.905   1.454  -0.439  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.166   1.800  -0.929  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.291   1.083  -0.524  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.158   0.017   0.365  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.899  -0.332   0.860  0.00  0.00    +0.010 A 
ENDBRANCH   6  17
TORSDOF 2