REMARK  Name = BDB046020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.411  -1.563   1.218  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.879  -0.431   1.269  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.224   0.633   1.853  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.516   1.562   1.563  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.177   0.525   2.228  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.018   1.197   1.147  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        1.550   2.082   0.428  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        3.450   0.804   0.996  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.126   1.197  -0.170  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.476   0.870  -0.378  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        6.136   0.137   0.622  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.474  -0.252   1.788  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.133   0.082   1.979  0.00  0.00    +0.011 A 
BRANCH  10  14
ATOM     14  C   LIG    1        6.178   1.283  -1.605  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        6.161   2.621  -2.035  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.827   3.014  -3.199  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.522   2.075  -3.956  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.551   0.743  -3.550  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.885   0.352  -2.385  0.00  0.00    +0.008 A 
ENDBRANCH  10  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.252  -0.069   0.751  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.884  -1.242   0.005  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.275  -0.961  -0.388  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -4.436  -0.244  -1.572  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -3.507   0.193  -2.248  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -5.720  -0.014  -1.962  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -5.842   0.539  -2.796  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.833  -0.313  -1.246  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -7.945   0.065  -1.598  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.629  -1.104  -0.006  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.916  -1.508   0.656  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.731  -2.836   1.874  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.246  -2.205   2.680  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.090  -2.124   1.685  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -5.367  -1.373   0.390  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7