REMARK  Name = BDB045588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.527  -0.309  -0.079  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        0.010  -1.579  -0.188  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        0.546  -2.429  -0.263  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.361  -1.505  -0.195  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -1.635  -0.142  -0.112  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -2.980   0.273  -0.102  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -3.995  -0.700  -0.176  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.678  -2.058  -0.258  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.348  -2.491  -0.271  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.459   0.566  -0.023  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.684   0.748   0.012  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.311  -0.596   0.109  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.958  -0.959   0.081  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.958   0.016  -0.045  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        2.349   1.362  -0.138  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.699   1.728  -0.111  0.00  0.00    +0.019 A 
BRANCH  11  18
ATOM     17  N   LIG    1        7.195   1.400   0.067  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        6.070   1.114   0.042  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -3.321   1.708  -0.036  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -2.738   2.565  -0.683  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -4.358   2.040   0.797  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.661   1.413   1.529  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -4.490   3.033   0.946  0.00  0.00    +0.145 HD
ENDBRANCH   6  19
TORSDOF 3