REMARK  Name = BDB017169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.551  -0.043   0.550  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.762   0.584  -0.414  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.382   0.319  -0.501  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.788  -0.595   0.399  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.409  -0.861   0.312  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.614  -0.227  -0.650  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.212   0.669  -1.544  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.592  -1.220   1.363  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.580   0.941  -1.469  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.959  -0.944   1.435  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.555   1.030  -0.151  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.895   0.133   0.733  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.858  -0.477  -0.783  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -1.393  -0.169  -1.848  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.633  -1.111   0.377  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.057  -1.565  -0.013  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -4.146  -0.572   0.057  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -4.104   0.194   1.304  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.744   0.828   1.584  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.648  -0.230   1.632  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.241   0.254  -1.159  0.00  0.00    +0.099 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.614   0.906  -1.372  0.00  0.00    +0.134 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.669  -0.087  -1.617  0.00  0.00    +0.064 C 
ATOM     24  N   LIG    1       -7.527  -0.838  -1.833  0.00  0.00    -0.197 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 6