REMARK  Name = BDB016319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.742   1.216   2.257  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.532   0.111   1.221  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.414   0.483   0.380  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.263   1.488   0.244  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.950  -0.273  -0.699  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.521  -1.480  -1.160  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.863  -2.235  -2.156  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.681  -1.798  -2.749  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.120  -0.601  -2.338  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -3.758  -2.034  -0.761  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.978  -2.961  -1.103  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.814  -1.498  -0.094  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.822  -2.191   0.069  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.723   0.130  -1.303  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.774  -0.080   0.381  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.088   1.409  -0.903  0.00  0.00    +0.251 C 
ATOM     17  N   LIG    1        1.230   1.499  -0.528  0.00  0.00    -0.266 N 
ATOM     18  H   LIG    1        1.516   2.456  -0.399  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1       -0.764   2.441  -0.961  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.111   0.497  -0.082  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1        3.452   0.846   0.241  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.278  -0.187   0.744  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1        5.614   0.077   1.090  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.155   1.352   0.942  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.368   2.380   0.441  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.761  -1.474   0.895  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        2.448  -1.705   0.543  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        4.037   2.133   0.094  0.00  0.00    +0.012 A 
ATOM     29  N   LIG    1        1.628  -0.754   0.063  0.00  0.00    -0.239 NA
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2