REMARK  Name = BDB057980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.308   0.134  -2.078  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        0.791   0.522  -0.817  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -0.112   0.822   0.219  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.510   0.746   0.043  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -2.455   1.091   1.215  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -3.895   0.933   0.790  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.353   0.540  -0.451  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.447   0.222  -1.535  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1       -3.833  -0.130  -2.644  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -5.776   0.528  -0.403  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -6.147   0.920   0.885  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -7.485   1.020   1.290  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -8.477   0.709   0.348  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -8.134   0.314  -0.947  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -6.790   0.221  -1.333  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.987   1.160   1.589  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -4.959   1.461   2.554  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -2.222   2.553   1.653  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -2.178   0.139   2.400  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -1.986   0.347  -1.228  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.082   0.046  -2.263  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1        2.205   0.634  -0.535  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.921  -0.270   0.219  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        4.205   0.194   0.239  0.00  0.00    -0.270 N 
ATOM     25  N   LIG    1        4.366   1.357  -0.421  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        3.145   1.621  -0.895  0.00  0.00    +0.142 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.343  -0.429   0.893  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.135  -1.307  -0.084  0.00  0.00    +0.107 C 
BRANCH  28  29
ATOM     29  N   LIG    1        7.309  -2.023   0.450  0.00  0.00    -0.307 NA
ATOM     30  C   LIG    1        8.364  -1.114   0.893  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        6.966  -2.983   1.495  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   2  22
BRANCH   1  33
ATOM     32  C   LIG    1        1.594  -1.711  -3.206  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        1.210  -0.239  -3.234  0.00  0.00    +0.032 C 
ENDBRANCH   1  33
BRANCH  13  34
ATOM     34  C   LIG    1       -9.859   0.798   0.723  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1      -10.974   0.873   1.036  0.00  0.00    -0.191 NA
ENDBRANCH  13  34
TORSDOF 6