REMARK  Name = BDB057239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.890  -2.477  -0.260  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.148  -1.582   0.058  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.265  -1.436  -0.777  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -1.326  -2.205  -1.948  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.298  -3.090  -2.280  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.808  -3.223  -1.442  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.352  -0.516  -0.467  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -3.486  -0.389  -1.270  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.209   0.514  -0.664  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -5.512   1.170  -0.873  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -5.759   1.814   0.516  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.372   1.961   1.171  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -3.600   0.966   0.462  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -2.425   0.337   0.628  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1        2.088  -2.594   0.646  0.00  0.00    +0.140 C 
BRANCH  15  18
ATOM     16  O   LIG    1        2.421  -0.173   2.138  0.00  0.00    -0.269 OA
ATOM     17  C   LIG    1        3.075  -0.374   1.121  0.00  0.00    +0.263 C 
ATOM     18  N   LIG    1        3.034  -1.539   0.388  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        3.535  -1.521  -0.496  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1        3.996   0.668   0.560  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1        4.652   0.338  -0.590  0.00  0.00    -0.250 NA
ATOM     22  C   LIG    1        5.476   1.278  -1.099  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        5.678   2.523  -0.522  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.996   2.831   0.651  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.136   1.889   1.208  0.00  0.00    +0.033 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4