REMARK  Name = BDB064819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.739   2.021  -0.437  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.774   1.290  -0.234  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.630   0.109  -0.915  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1       -4.423  -0.140  -1.493  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.835  -0.955  -0.549  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1       -3.094  -2.081  -0.967  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.642  -0.617   0.346  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -1.199  -1.789   1.042  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.212  -1.732   1.156  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1        0.619  -0.839   0.315  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -0.453  -0.216  -0.510  0.00  0.00    +0.119 C 
ATOM     12  C   LIG    1       -2.071   0.423   1.385  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -2.674   1.656   0.732  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.039  -0.526   0.106  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        2.570   0.757   0.265  0.00  0.00    +0.050 A 
ATOM     16 CL   LIG    1        1.629   2.100   0.807  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.932   0.974   0.031  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.759  -0.086  -0.348  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.232  -1.370  -0.483  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.874  -1.593  -0.252  0.00  0.00    +0.011 A 
ENDBRANCH  10  14
TORSDOF 1