REMARK  Name = BDB045511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.650   0.607  -1.266  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        3.238  -0.281  -0.350  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        2.444  -0.896   0.621  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.069  -0.636   0.659  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1        0.484   0.227  -0.263  0.00  0.00    +0.143 A 
ATOM      6  O   LIG    1       -0.858   0.501  -0.277  0.00  0.00    -0.454 OA
ATOM      7  C   LIG    1       -1.670  -0.124   0.659  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -1.223  -0.963   1.606  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1        0.211  -1.280   1.664  0.00  0.00    +0.193 A 
ATOM     10  O   LIG    1        0.667  -2.048   2.501  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        1.270   0.849  -1.232  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.097   0.227   0.548  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -4.103  -0.735   0.664  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.454  -0.374   0.541  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -5.880   0.942   0.293  0.00  0.00    +0.179 A 
ATOM     16  O   LIG    1       -7.109   1.258   0.183  0.00  0.00    -0.288 OA
ATOM     17  C   LIG    1       -4.840   1.880   0.173  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.483   1.544   0.292  0.00  0.00    +0.015 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        3.828   2.475  -1.903  0.00  0.00    +0.252 C 
ATOM     20  O   LIG    1        3.404   1.176  -2.265  0.00  0.00    -0.472 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  C   LIG    1        4.638  -0.573  -0.390  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.154  -0.869  -0.435  0.00  0.00    -0.030 C 
ATOM     23  C   LIG    1        7.425  -1.115  -0.481  0.00  0.00    -0.048 C 
ATOM     24  C   LIG    1        8.085  -1.496  -1.815  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        8.258  -1.129   0.809  0.00  0.00    +0.026 C 
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 4