REMARK  Name = BDB017145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.935  -0.285   0.551  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        5.021   0.085  -0.462  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.615   0.083  -0.195  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        3.171  -0.251   1.107  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.799  -0.255   1.413  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.832   0.056   0.450  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.253   0.379  -0.838  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.102  -0.584   2.097  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.619   0.391  -1.152  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.469  -0.607   1.823  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        8.193  -0.817   1.128  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        7.259  -0.292   0.192  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.610   0.027   0.857  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.882  -0.145   2.045  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.697   0.226  -0.196  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.005  -0.446   0.264  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -4.099  -0.051  -0.630  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -4.399   1.383  -0.566  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.240   2.232  -0.021  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.888   1.721  -0.505  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.222  -0.990  -0.521  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -6.495  -0.546  -1.276  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -7.292  -1.101  -0.071  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.027  -0.872   0.791  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  25
ATOM     25  C   LIG    1        5.562   0.441  -1.837  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.555  -0.704  -2.760  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        5.535  -1.587  -3.513  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6