REMARK  Name = BDB019042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.715   0.049   0.501  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -2.213  -0.899  -0.430  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1       -0.845  -1.084  -0.447  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.582  -2.067  -1.366  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1       -1.676  -2.481  -1.970  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1        0.034  -0.375   0.392  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.440   0.471   1.266  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.699  -1.763  -1.389  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1       -1.808   0.659   1.298  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.943   2.502  -0.717  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.725   1.539   0.131  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.137   0.393   0.685  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -4.948  -0.458   1.445  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.293  -0.153   1.628  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.784   1.002   1.050  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -6.033   1.853   0.318  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        1.392  -0.583   0.319  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.804  -0.200   1.169  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.125  -0.038  -0.821  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.558  -0.472  -0.746  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.512   0.202   0.009  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.381   1.391   0.885  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.862   1.700   1.111  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.633   0.499   0.883  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.820  -0.263   0.085  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.238  -1.404  -0.570  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.300  -2.093  -1.337  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.981  -1.628  -1.417  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.102  -2.322  -2.156  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  30
ATOM     30  C   LIG    1       -4.060  -1.975  -1.781  0.00  0.00    +0.121 C 
ATOM     31  N   LIG    1       -5.170  -2.141  -2.083  0.00  0.00    -0.189 NA
ENDBRANCH   8  30
TORSDOF 5