REMARK  Name = BDB050337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.432  -2.115  -0.894  0.00  0.00    +0.060 A 
ATOM      2  N   LIG    1       -0.784  -1.429  -1.027  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.320  -0.453  -0.152  0.00  0.00    +0.420 C 
ATOM      4  O   LIG    1       -0.808  -0.196   0.927  0.00  0.00    -0.223 OA
ATOM      5  C   LIG    1       -1.400  -1.915  -2.179  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -0.638  -2.919  -2.725  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        0.506  -3.050  -1.916  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  17
ATOM      8  C   LIG    1        3.047   2.881  -0.389  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        2.894   1.510   0.030  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        1.981   0.619  -0.508  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        1.216   0.821  -1.432  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        2.107  -0.635   0.264  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        3.082  -0.423   1.247  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        3.430  -1.429   2.133  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        2.785  -2.661   2.015  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.805  -2.869   1.027  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.440  -1.849   0.133  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.611   0.969   1.165  0.00  0.00    +0.143 C 
ENDBRANCH   1  17
BRANCH   3  19
ATOM     19  O   LIG    1       -2.451   0.077  -0.685  0.00  0.00    -0.442 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.147   1.144   0.004  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1       -3.698   0.669   1.353  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.329   1.495  -0.913  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -2.257   2.383   0.153  0.00  0.00    +0.055 C 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 3