REMARK  Name = BDB017143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.005   0.252   0.244  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        5.014  -0.442  -0.488  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.630  -0.146  -0.278  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        3.280   0.813   0.701  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.931   1.124   0.944  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.896   0.508   0.230  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.225  -0.425  -0.750  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.282   1.463   1.430  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.567  -0.746  -0.995  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.630   1.191   1.202  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        8.330   0.719   0.544  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        7.305  -0.069  -0.051  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.515   0.904   0.545  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.696   1.875   1.278  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.678   0.107  -0.047  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.013   0.873   0.102  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -4.218   0.022  -0.006  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.970  -1.194  -0.775  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.938  -2.070  -0.051  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.809  -1.268   0.604  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.361   0.805  -0.487  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.656   0.101  -0.199  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -7.850   0.873   0.309  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -7.132  -0.082   1.221  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  25
ATOM     25  C   LIG    1        5.454  -1.469  -1.518  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.527  -0.909  -2.876  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        5.566  -0.497  -3.961  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7