REMARK  Name = BDB061058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.208   0.052  -1.968  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        1.314  -0.536  -2.796  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.126   0.007  -1.503  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -0.479  -0.214  -0.166  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.825  -0.231   0.244  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1       -2.140  -0.450   1.705  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1       -3.601  -0.818   1.959  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -4.527   0.119   1.194  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -4.298  -0.018  -0.311  0.00  0.00    +0.035 C 
ATOM     10  C   LIG    1       -2.840   0.009  -0.696  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1       -2.492   0.222  -2.035  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -1.152   0.224  -2.430  0.00  0.00    +0.023 A 
ENDBRANCH   1   3
BRANCH   1  19
ATOM     13  C   LIG    1        5.648   0.685   1.450  0.00  0.00    +0.176 C 
ATOM     14  N   LIG    1        4.537   0.447   0.548  0.00  0.00    -0.231 N 
ATOM     15  C   LIG    1        4.683  -0.444  -0.511  0.00  0.00    +0.287 A 
ATOM     16  O   LIG    1        5.711  -1.088  -0.717  0.00  0.00    -0.265 OA
ATOM     17  C   LIG    1        3.493  -0.590  -1.397  0.00  0.00    +0.129 A 
ATOM     18 CL   LIG    1        3.610  -1.736  -2.693  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        2.362   0.101  -1.198  0.00  0.00    +0.075 A 
ATOM     20  C   LIG    1        2.456   1.096  -0.100  0.00  0.00    +0.157 A 
ATOM     21  N   LIG    1        3.445   1.260   0.717  0.00  0.00    -0.175 NA
ENDBRANCH   1  19
TORSDOF 2