REMARK  Name = BDB017162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.208  -0.197   0.824  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -4.983   0.636   0.511  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -3.799  -0.000   0.026  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.656   0.787  -0.265  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.476   0.186  -0.743  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.396  -1.196  -0.937  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -2.518  -1.979  -0.663  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -2.701   2.173  -0.077  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.857   2.792   0.395  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.695  -1.392  -0.189  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -4.996   2.037   0.690  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.163  -1.881  -1.438  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -0.272  -3.026  -1.876  0.00  0.00    -0.292 OA
BRANCH  12  14
ATOM     14  C   LIG    1        1.182  -1.160  -1.382  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1        1.644  -1.012   0.080  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1        3.091  -0.772   0.243  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        3.711  -0.198  -0.946  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        3.594  -1.175  -2.125  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1        2.251  -1.906  -2.185  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1        3.345  -0.133   1.547  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1        4.847   0.017   1.849  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        4.746   1.522   1.534  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1        3.212   1.400   1.532  0.00  0.00    +0.019 C 
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH  11  24
ATOM     24  C   LIG    1       -6.152   2.741   1.172  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -7.080   3.320   1.562  0.00  0.00    -0.191 NA
ENDBRANCH  11  24
TORSDOF 4