REMARK  Name = BDB052308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.092   0.836   2.455  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        1.239   1.021   1.353  0.00  0.00    -0.227 N 
ATOM      3  C   LIG    1        0.996   2.288   0.804  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.130   2.121  -0.247  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.123   0.735  -0.296  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        1.638   3.414   1.390  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        2.453   3.235   2.444  0.00  0.00    +0.004 A 
ATOM      8  N   LIG    1        0.537   0.070   0.658  0.00  0.00    -0.170 NA
ATOM      9  C   LIG    1        2.695   1.915   3.000  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.013   0.009  -1.269  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1       -0.224  -0.990  -2.131  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -1.131  -1.723  -3.117  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -2.297  -2.405  -2.409  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -3.088  -1.421  -1.553  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -2.188  -0.687  -0.561  0.00  0.00    +0.010 C 
ENDBRANCH   5  10
BRANCH   1  19
ATOM     16  N   LIG    1        1.770  -1.566   2.516  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        1.938  -2.483   2.903  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        1.145  -1.468   1.716  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        2.381  -0.489   3.072  0.00  0.00    +0.260 C 
ATOM     20  O   LIG    1        3.129  -0.628   4.035  0.00  0.00    -0.269 OA
ENDBRANCH   1  19
TORSDOF 2