REMARK  Name = BDB036959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.082  -0.469  -0.494  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -0.194  -0.109  -1.510  0.00  0.00    +0.234 C 
ATOM      3  O   LIG    1       -0.570   0.008  -2.680  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1        1.298   0.065  -1.163  0.00  0.00    +0.202 C 
ATOM      5  N   LIG    1        1.571   0.299   0.273  0.00  0.00    -0.305 N 
ATOM      6  C   LIG    1        0.800  -0.595   1.145  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1       -0.686  -0.312   0.909  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1       -5.285   0.485   2.004  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.548   0.180   1.071  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -4.330  -1.134   0.751  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1       -4.776  -1.794   1.375  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1       -3.250  -1.631   0.065  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.874  -2.786   0.264  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -2.500  -0.654  -0.853  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -3.268   0.660  -1.028  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -3.769   1.211   0.294  0.00  0.00    +0.098 C 
ENDBRANCH   1  14
BRANCH   5  17
ATOM     17  C   LIG    1        2.953   0.276   0.551  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        3.449  -0.646   1.405  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        4.778  -0.641   1.659  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        5.667   0.259   1.103  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.159   1.216   0.239  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.792   1.227  -0.035  0.00  0.00    +0.043 A 
ENDBRANCH   5  17
TORSDOF 2