REMARK  Name = BDB020170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.987   2.252  -0.939  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.703   1.984  -1.417  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.025   0.893  -0.933  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.547   0.041   0.020  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.839   0.291   0.507  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        2.543   1.412   0.027  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.388   0.653  -1.479  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -2.294   0.092  -0.607  0.00  0.00    -0.304 N 
ATOM      9  H   LIG    1       -2.067   0.022   0.373  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1       -1.655   0.979  -2.629  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.667  -0.161  -0.996  0.00  0.00    +0.107 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.588  -0.012   0.207  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -4.546  -0.907   1.295  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -5.395  -0.744   2.400  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -5.336  -1.684   3.565  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -6.269   0.344   2.419  0.00  0.00    +0.126 A 
ATOM     17  F   LIG    1       -7.073   0.536   3.474  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -6.322   1.245   1.362  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -5.485   1.068   0.260  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
BRANCH  11  20
ATOM     20  C   LIG    1       -3.772  -1.546  -1.590  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1       -4.953  -1.927  -2.451  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.598  -1.756  -3.076  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  23
ATOM     23  O   LIG    1        2.582   3.349  -1.496  0.00  0.00    -0.492 OA
BRANCH  23  25
ATOM     24  C   LIG    1        4.945   2.919  -1.878  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        3.905   3.702  -1.095  0.00  0.00    +0.225 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   5  26
ATOM     26  C   LIG    1        2.464  -0.628   1.537  0.00  0.00    +0.160 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.718  -1.185   1.072  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1        4.996  -0.715   1.405  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1        5.346   0.232   2.198  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1        4.524   0.649   2.631  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1        5.860  -1.510   0.647  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1        7.282  -1.285   0.579  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1        5.131  -2.380  -0.148  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1        3.831  -2.190   0.114  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8