REMARK  Name = BDB014299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.314  -0.090   0.483  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -3.829  -1.337   0.078  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1       -4.981  -1.711   0.283  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -2.863  -2.154  -0.615  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.565  -1.781  -0.881  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.932  -2.844  -1.558  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -1.876  -3.843  -1.695  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.115  -0.491  -0.451  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -3.048  -3.413  -1.119  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -3.917  -3.931  -1.063  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.996   0.302   0.205  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.236   0.053  -0.698  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        1.106   0.322   0.366  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        2.384   0.832   0.113  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.791   1.111  -1.196  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.930   0.841  -2.259  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.661   0.310  -2.011  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        3.266   1.142   1.259  0.00  0.00    +0.246 C 
ATOM     19  N   LIG    1        4.563   0.632   1.274  0.00  0.00    -0.304 N 
ATOM     20  C   LIG    1        5.455   1.065   2.336  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1        5.008  -0.514   0.493  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        2.806   1.859   2.145  0.00  0.00    -0.270 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  23
ATOM     23  C   LIG    1       -4.196   0.832   1.187  0.00  0.00    +0.151 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.575   3.129   0.226  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.780   1.805   0.204  0.00  0.00    -0.013 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4