REMARK  Name = BDB034989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.711  -2.610   0.184  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.206  -1.192   0.160  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.300  -0.132   0.135  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.856   1.163   0.102  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.964   2.219   0.070  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.414   2.000   0.075  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.888   0.695   0.116  0.00  0.00    +0.072 A 
ATOM      8  N   LIG    1       -3.179   1.422   0.099  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -4.020   0.380   0.131  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        0.035  -0.358   0.139  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -3.583  -0.932   0.153  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.327   0.354   0.126  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.293   1.194   0.715  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.650   0.854   0.713  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        5.059  -0.335   0.124  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        6.358  -0.659   0.123  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.137  -1.191  -0.459  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        2.782  -0.848  -0.454  0.00  0.00    +0.013 A 
ENDBRANCH   7  12
BRANCH   9  19
ATOM     19  N   LIG    1       -5.379   0.674   0.101  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -5.469   1.687   0.130  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.879   0.229   0.861  0.00  0.00    +0.144 HD
ENDBRANCH   9  19
TORSDOF 2