REMARK  Name = BDB017163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.599   2.298   1.233  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -5.455   1.165   0.241  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -4.205   0.482   0.123  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -4.080  -0.577  -0.809  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.861  -1.264  -0.943  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.743  -0.930  -0.169  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.851   0.113   0.748  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -5.175  -0.943  -1.601  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -6.392  -0.277  -1.485  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.062   0.804   0.889  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -6.541   0.772  -0.573  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.483  -1.712  -0.379  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -0.418  -2.476  -1.342  0.00  0.00    -0.292 OA
BRANCH  12  14
ATOM     14  C   LIG    1        0.698  -1.528   0.571  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1        1.606  -0.428  -0.006  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1        2.917  -0.463   0.647  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        3.652  -1.700   0.345  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        2.749  -2.893  -0.004  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1        1.448  -2.858   0.786  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1        3.679   0.775   0.467  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1        4.000   1.199  -0.972  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        5.117   2.236  -0.834  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.667   2.097   0.586  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.057   0.814   1.137  0.00  0.00    +0.019 C 
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH  11  25
ATOM     25  C   LIG    1       -7.824   1.417  -0.505  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1       -8.863   1.932  -0.457  0.00  0.00    -0.191 NA
ENDBRANCH  11  25
TORSDOF 4