REMARK  Name = BDB049810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.108  -1.716  -0.558  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        3.214  -2.532  -0.504  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        3.177  -3.538  -0.596  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        4.328  -1.757  -0.313  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.841  -0.453  -0.268  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.753   0.603  -0.082  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.123   0.301   0.049  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.573  -1.020  -0.000  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.681  -2.082  -0.183  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.470  -0.457  -0.398  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  15
ATOM     11  N   LIG    1       -2.611   0.299  -0.152  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1       -2.759  -1.167  -0.259  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.662  -1.905  -1.058  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1       -0.325  -1.370  -0.826  0.00  0.00    -0.293 N 
ATOM     15  C   LIG    1        0.763  -2.242  -0.764  0.00  0.00    +0.282 C 
ATOM     16  O   LIG    1        0.602  -3.460  -0.882  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -0.217   0.094  -0.805  0.00  0.00    +0.123 C 
ATOM     18  C   LIG    1       -1.560   0.811  -1.045  0.00  0.00    +0.103 C 
BRANCH  11  19
ATOM     19  C   LIG    1       -3.875   1.025  -0.322  0.00  0.00    +0.087 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.372   1.138   2.176  0.00  0.00    +0.008 C 
ATOM     21  C   LIG    1       -4.906   0.747   0.796  0.00  0.00    -0.003 C 
ATOM     22  C   LIG    1       -6.202   1.509   0.506  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  C   LIG    1        4.279   2.002  -0.048  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        3.391   2.426  -0.774  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        4.896   2.826   0.857  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        5.408   2.450   1.642  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        4.467   3.736   0.973  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 4