REMARK  Name = BDB016390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.878  -1.322   2.046  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.458   0.138   1.893  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.563   0.340   0.769  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.630  -0.025   0.956  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.929   0.177  -0.573  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.252   0.228  -1.073  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.485   0.035  -2.452  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.446  -0.153  -3.354  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.141  -0.145  -2.893  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.436   0.438  -0.339  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.308   0.333  -0.845  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.681   0.796   0.943  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.858   0.884   1.308  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.861   0.027  -1.524  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.574   1.151   1.878  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.441   0.032  -1.123  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.200   1.216  -0.750  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        1.548   1.214  -0.362  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.314   0.038  -0.333  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.654  -1.141  -0.714  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        0.306  -1.150  -1.101  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  N   LIG    1        3.647   0.038   0.054  0.00  0.00    -0.330 N 
ATOM     23  C   LIG    1        4.556  -1.025  -0.388  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1        5.986  -0.498  -0.499  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        6.498   0.068   0.822  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        5.380   0.633   1.694  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        4.196   1.129   0.867  0.00  0.00    +0.105 C 
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2