REMARK  Name = BDB025418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.299   1.591  -0.887  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        6.008   1.464  -0.255  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        5.988   1.717   0.719  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        5.202   0.404  -0.584  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        3.975   0.364   0.059  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1        3.225  -0.897  -0.083  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1        1.786  -0.714   0.234  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        1.228   0.488   0.700  0.00  0.00    +0.072 A 
ATOM      9  N   LIG    1       -0.079   0.408   0.944  0.00  0.00    -0.167 NA
ATOM     10  N   LIG    1       -0.406  -0.879   0.606  0.00  0.00    -0.185 N 
ATOM     11  C   LIG    1       -1.735  -1.349   0.691  0.00  0.00    +0.257 C 
ATOM     12  O   LIG    1       -1.980  -2.514   0.376  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.029   1.718   0.896  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        0.730  -1.593   0.192  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1        3.508   1.339   1.069  0.00  0.00    +0.116 C 
ATOM     16  O   LIG    1        5.550  -0.444  -1.403  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.769  -0.337   1.172  0.00  0.00    +0.113 C 
ATOM     18  C   LIG    1       -3.563   0.240   0.013  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -4.896  -0.146  -0.212  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -5.603   0.445  -1.269  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -4.989   1.357  -2.128  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.663   1.716  -1.922  0.00  0.00    +0.000 A 
ATOM     23  N   LIG    1       -5.589  -0.981   0.677  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1       -6.343  -1.483   0.213  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1       -4.774  -1.833   1.527  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -2.955   1.168  -0.853  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.688  -1.011   2.205  0.00  0.00    +0.036 C 
ENDBRANCH  11  17
BRANCH  14  28
ATOM     28  N   LIG    1        0.701  -2.901  -0.160  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -0.208  -3.360  -0.292  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.436  -3.310  -0.732  0.00  0.00    +0.144 HD
ENDBRANCH  14  28
TORSDOF 2