REMARK  Name = BDB058357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.903   0.210  -0.941  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.199   0.689   0.192  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -2.957   1.341   1.177  0.00  0.00    +0.052 A 
ATOM      4  N   LIG    1       -2.110   1.660   2.213  0.00  0.00    -0.360 N 
ATOM      5  H   LIG    1       -2.390   2.131   3.063  0.00  0.00    +0.165 HD
ATOM      6  C   LIG    1       -0.840   1.256   1.921  0.00  0.00    +0.095 A 
ATOM      7  C   LIG    1       -4.333   1.583   1.056  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -4.969   1.148  -0.108  0.00  0.00    +0.023 A 
ATOM      9 BR   LIG    1       -6.821   1.471  -0.326  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -0.848   0.689   0.663  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.272   0.470  -1.098  0.00  0.00    +0.061 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        0.481   0.203   0.019  0.00  0.00    +0.158 A 
ATOM     13  O   LIG    1        1.686   0.207   0.680  0.00  0.00    -0.434 OA
ATOM     14  C   LIG    1        2.592  -0.283  -0.221  0.00  0.00    +0.244 A 
ATOM     15  N   LIG    1        2.067  -0.582  -1.394  0.00  0.00    -0.216 NA
ATOM     16  C   LIG    1        0.736  -0.264  -1.250  0.00  0.00    +0.161 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.977  -0.455   0.070  0.00  0.00    +0.103 A 
ATOM     18  N   LIG    1        4.855  -0.940  -0.871  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        4.585  -1.201  -1.812  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1        6.117  -1.008  -0.337  0.00  0.00    +0.098 A 
ATOM     21  C   LIG    1        6.030  -0.558   0.956  0.00  0.00    +0.036 A 
ATOM     22 BR   LIG    1        7.427  -0.416   2.194  0.00  0.00    -0.049 Br
ATOM     23  C   LIG    1        4.692  -0.208   1.225  0.00  0.00    +0.047 A 
ENDBRANCH  14  17
ENDBRANCH  10  12
BRANCH   1  25
ATOM     24  C   LIG    1       -2.458  -1.906  -1.712  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.279  -0.505  -1.942  0.00  0.00    -0.494 OA
ENDBRANCH   1  25
TORSDOF 3