REMARK  Name = BDB016956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.703   2.804  -0.078  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.333   2.348  -0.059  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.903   1.037  -0.043  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.484   1.137  -0.009  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.875   2.467  -0.003  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.238   3.160  -0.035  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.804  -0.109  -0.040  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.396  -0.545  -1.229  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -3.262  -1.633  -1.205  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -3.831  -2.046  -2.345  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.552  -2.297  -0.018  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.961  -1.870   1.170  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -2.089  -0.779   1.158  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.457   0.047   0.013  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1        1.014  -1.213  -0.218  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        1.915  -2.218  -0.196  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        3.263  -2.028   0.026  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.707  -0.724   0.234  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        2.796   0.331   0.248  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.149  -0.506   0.473  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        5.843  -1.305   1.078  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.627   0.626  -0.083  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        5.006   1.103  -0.667  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   4  14
TORSDOF 4