REMARK  Name = BDB017110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.234  -0.626  -0.090  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.163  -1.665  -0.251  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.541  -1.442  -0.089  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        4.001  -0.148   0.240  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        5.381   0.078   0.404  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        6.299  -0.962   0.243  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        5.837  -2.236  -0.083  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.066   0.887   0.398  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.471  -2.478  -0.248  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.696   0.652   0.234  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.220  -0.944  -0.279  0.00  0.00    +0.167 C 
ATOM     12  O   LIG    1       -0.531  -2.072  -0.661  0.00  0.00    -0.292 OA
BRANCH  11  15
ATOM     13  N   LIG    1       -3.675   0.500   0.334  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1       -2.620  -0.524   0.339  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1       -1.270   0.131  -0.011  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.384   1.095  -1.206  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1       -2.695   0.903  -1.958  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -3.910   1.014  -1.027  0.00  0.00    +0.084 C 
BRANCH  13  19
ATOM     19  C   LIG    1       -4.906  -0.001   0.964  0.00  0.00    +0.084 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -7.170   0.572   1.917  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.950   1.102   1.178  0.00  0.00    +0.012 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  22
ATOM     22  O   LIG    1        7.657  -0.865   0.375  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1        8.185   0.412   0.708  0.00  0.00    +0.277 C 
ENDBRANCH   6  22
TORSDOF 5