REMARK  Name = BDB063016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.666   0.428  -0.046  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.313   0.766  -0.109  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.366  -0.249  -0.057  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1        1.729  -1.544   0.032  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1        3.046  -1.849   0.065  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        4.049  -0.905   0.028  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        5.774   1.290  -0.701  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1        4.724   1.458  -0.108  0.00  0.00    +0.337 C 
BRANCH   8   9
ATOM      9  O   LIG    1        4.432   2.570   0.598  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1        3.642   2.509   1.165  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  N   LIG    1        0.014   0.103  -0.158  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -0.220   0.820   0.522  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -0.912  -1.021  -0.085  0.00  0.00    +0.138 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.326  -0.490  -0.155  0.00  0.00    -0.028 A 
ATOM     15  C   LIG    1       -2.811   0.071  -1.346  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1       -4.108   0.568  -1.403  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       -4.561   1.101  -2.546  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -4.942   0.523  -0.292  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -4.471  -0.028   0.898  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -3.168  -0.530   0.968  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   3  11
TORSDOF 5