REMARK  Name = BDB016120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.659   1.887  -0.255  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.017   0.759   0.107  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.331   0.774   0.198  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.053   1.950  -0.031  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.295   3.052  -0.389  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.046   3.051  -0.519  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.969  -0.436   0.530  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1       -2.829  -0.981  -0.560  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1       -2.483  -2.424  -0.950  0.00  0.00    +0.266 C 
ATOM     10  F   LIG    1       -3.373  -2.887  -1.868  0.00  0.00    -0.204 F 
ATOM     11  F   LIG    1       -1.271  -2.441  -1.576  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -2.429  -3.383   0.229  0.00  0.00    +0.097 C 
ATOM     13  C   LIG    1       -1.887  -2.722   1.504  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -1.090  -1.429   1.178  0.00  0.00    +0.125 C 
BRANCH  13  15
ATOM     15  N   LIG    1       -3.018  -2.459   2.413  0.00  0.00    -0.326 NA
ATOM     16  H   LIG    1       -2.714  -1.855   3.177  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1       -3.337  -3.329   2.837  0.00  0.00    +0.119 HD
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  20
ATOM     18  C   LIG    1        4.243   0.569  -0.231  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        2.843   0.639  -0.132  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.131   1.835  -0.364  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.885   2.974  -0.704  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.277   2.923  -0.806  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.951   1.726  -0.569  0.00  0.00    +0.008 A 
BRANCH  18  28
ATOM     24  C   LIG    1        7.537  -3.147  -0.349  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.396  -2.320  -0.041  0.00  0.00    -0.274 N 
ATOM     26  N   LIG    1        5.466  -2.770   0.820  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        4.574  -1.777   0.859  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1        4.928  -0.686   0.030  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.121  -1.080  -0.541  0.00  0.00    +0.116 A 
ENDBRANCH  18  28
ENDBRANCH   1  20
BRANCH   4  30
ATOM     30  C   LIG    1       -3.487   2.083   0.152  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -4.328   2.818  -0.659  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1       -5.582   2.680  -0.135  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1       -6.804   3.258  -0.637  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1       -5.619   1.910   0.966  0.00  0.00    -0.179 NA
ATOM     35  C   LIG    1       -4.345   1.547   1.140  0.00  0.00    +0.143 A 
ENDBRANCH   4  30
TORSDOF 5