REMARK  Name = BDB058021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.081  -2.763   0.177  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        1.329  -2.121  -0.818  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.068  -2.168  -0.797  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.725  -2.853   0.229  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.013  -3.537   1.198  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.410  -3.490   1.171  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        5.018   1.665  -1.073  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.983   0.335  -0.693  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1        3.862  -0.430  -0.467  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1        4.316  -1.695  -0.117  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        5.800  -1.731  -0.094  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        6.543  -2.646   0.181  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        3.550  -2.754   0.178  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        6.165  -0.374  -0.482  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        7.416   0.190  -0.637  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.468   1.529  -1.028  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.282   2.261  -1.247  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1        3.791   3.762  -1.103  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.522   4.215  -0.574  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        2.900   4.241  -1.167  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.761   2.411  -1.317  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.732   1.858  -1.678  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1       -2.203  -2.921   0.277  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -2.936  -1.742   0.223  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -4.396  -1.843   0.150  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -5.062  -0.530  -0.289  0.00  0.00    +0.125 C 
ATOM     27  N   LIG    1       -4.698   0.567   0.623  0.00  0.00    -0.311 N 
ATOM     28  C   LIG    1       -3.339   0.548   1.188  0.00  0.00    +0.125 C 
ATOM     29  C   LIG    1       -2.389  -0.391   0.415  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1       -2.723  -4.031   0.365  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.336   1.783   0.408  0.00  0.00    +0.140 A 
ATOM     32  N   LIG    1       -6.164   1.909  -0.656  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1       -6.780   3.104  -0.827  0.00  0.00    +0.132 A 
ATOM     34  C   LIG    1       -6.597   4.168   0.034  0.00  0.00    +0.130 A 
ATOM     35  N   LIG    1       -5.794   4.082   1.112  0.00  0.00    -0.258 NA
ATOM     36  C   LIG    1       -5.189   2.875   1.275  0.00  0.00    +0.154 A 
ENDBRANCH  27  31
ENDBRANCH   4  23
TORSDOF 4