REMARK  Name = BDB046046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.268  -2.102   0.542  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.496  -0.902   0.651  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.502   0.039   0.736  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.718   1.016   0.919  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.897  -0.339   0.791  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.773   0.916   0.875  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        3.145   0.732   0.836  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.794  -0.583   0.743  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        5.320  -0.526   0.942  0.00  0.00    +0.125 C 
ATOM     10  N   LIG    1        5.915   0.462   0.029  0.00  0.00    -0.311 N 
ATOM     11  C   LIG    1        5.238   1.771  -0.065  0.00  0.00    +0.125 C 
ATOM     12  C   LIG    1        4.037   1.891   0.894  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1        1.258   2.034   0.979  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.313   0.458  -0.018  0.00  0.00    +0.144 A 
ATOM     15  N   LIG    1        8.023  -0.350   0.802  0.00  0.00    -0.134 NA
ATOM     16  N   LIG    1        9.399  -0.386   0.770  0.00  0.00    -0.156 NA
ATOM     17  C   LIG    1       10.056   0.387  -0.108  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        9.393   1.217  -0.983  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        8.001   1.247  -0.937  0.00  0.00    +0.047 A 
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.885  -0.309   0.662  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.947  -1.403   0.747  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.310  -0.854   0.659  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -5.843  -0.366   1.851  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -5.231  -0.325   2.916  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -7.119   0.105   1.787  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -7.495   0.497   2.635  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.856   0.249   0.656  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -8.939   0.825   0.665  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.272  -0.306  -0.590  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -8.203  -0.226  -1.767  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.729  -1.292  -3.153  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -5.964  -0.918  -3.137  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.341  -1.335  -1.807  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -6.019  -0.809  -0.551  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6