REMARK  Name = BDB052988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.021   0.976  -0.408  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.587   2.290  -0.975  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.649   2.349  -1.611  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.119   3.558  -2.148  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.340   4.710  -2.062  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.910   4.654  -1.453  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.462   1.131  -1.748  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.558   1.194  -2.300  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -0.903  -0.035  -1.248  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        1.377   3.450  -0.915  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.294  -0.093  -0.583  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.204   0.916   0.329  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        2.558   1.811   0.638  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        3.953  -3.619   1.506  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.686  -2.169   1.358  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        4.458  -1.272   1.983  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        3.928  -0.091   1.625  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        4.358   0.748   1.992  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.846  -0.192   0.790  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.670  -1.543   0.600  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -1.666  -1.277  -1.306  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.524  -1.478  -0.075  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -1.965  -2.005   1.101  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -2.751  -2.174   2.241  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -4.091  -1.811   2.209  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1       -4.845  -1.972   3.306  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -4.661  -1.276   1.060  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -3.877  -1.105  -0.082  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4