REMARK  Name = BDB011657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.498  -1.604  -2.018  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.405  -1.021  -1.154  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.038  -0.384  -0.453  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.215  -2.444  -2.865  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.752  -1.224  -1.035  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.453  -0.676   0.166  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -1.894   0.040   0.985  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.782  -1.088   0.103  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.975  -1.746  -1.147  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.807  -2.954  -1.070  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.713  -1.810  -1.769  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.600  -2.412  -3.132  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.881  -0.288   0.649  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.952   1.113   0.021  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.117   1.923   0.589  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.063   1.996   2.112  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.990   0.607   2.741  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.821  -0.201   2.182  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        2.151  -1.070   0.795  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.595  -0.879  -0.607  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.829  -0.423  -1.034  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        3.869  -0.461  -2.392  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        2.668  -0.910  -2.886  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.881  -1.139  -1.822  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.072   0.029  -0.336  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        4.641   0.717   0.848  0.00  0.00    -0.369 OA
ATOM     27  C   LIG    1        5.476   1.789   1.284  0.00  0.00    +0.164 C 
ATOM     28  C   LIG    1        6.955   1.497   1.050  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        7.847   2.569   1.667  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        7.225   1.345  -0.453  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1        5.981   0.891  -1.216  0.00  0.00    +0.040 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4