REMARK  Name = BDB019725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.317  -0.513   0.080  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -1.565   0.360   0.522  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.004  -0.802  -0.176  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.403  -1.904  -0.534  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.974   0.306   0.036  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.290  -0.023   0.397  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        3.251   0.982   0.601  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.869   2.313   0.424  0.00  0.00    +0.128 A 
ATOM      9  F   LIG    1        3.758   3.299   0.608  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        1.569   2.651   0.053  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        0.619   1.649  -0.147  0.00  0.00    +0.016 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.666   0.628   0.972  0.00  0.00    +0.142 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.379   0.158  -0.201  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        4.838  -0.471  -0.781  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.671  -0.221  -0.093  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1        7.164  -0.810  -1.213  0.00  0.00    -0.316 N 
ATOM     17  H   LIG    1        6.861  -0.358  -2.067  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        8.601  -0.888  -1.044  0.00  0.00    +0.127 C 
ATOM     19  C   LIG    1        8.745  -0.671   0.465  0.00  0.00    +0.163 C 
ATOM     20  N   LIG    1        7.466  -0.062   0.922  0.00  0.00    -0.255 NA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  C   LIG    1       -2.363  -1.514  -0.058  0.00  0.00    +0.101 C 
ATOM     22  C   LIG    1       -2.347  -2.502   1.113  0.00  0.00    +0.033 C 
BRANCH  21  25
ATOM     23  C   LIG    1       -5.400   0.063  -1.753  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.195  -0.610  -1.534  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -3.697  -0.810  -0.236  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1       -4.427  -0.296   0.849  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1       -5.635   0.374   0.640  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.115   0.550  -0.662  0.00  0.00    +0.091 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.992   0.830  -3.343  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.758   0.178  -3.068  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  27  31
ATOM     31  O   LIG    1       -6.432   0.911   1.615  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -6.049   0.681   2.965  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 8