REMARK  Name = BDB056052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -1.527  -1.387  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.524  -2.394  -0.496  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.851  -2.925   0.608  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.491  -2.598   0.852  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1        1.146  -1.742  -0.043  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.471  -1.214  -1.148  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.909   0.395  -2.683  0.00  0.00    +0.134 A 
ATOM      8  C   LIG    1       -1.594  -0.969  -2.543  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -1.992  -1.821  -3.589  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.664  -1.325  -4.715  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.951   0.035  -4.825  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.574   0.907  -3.807  0.00  0.00    +0.033 A 
BRANCH   7  14
ATOM     13  O   LIG    1       -0.675   2.168  -1.914  0.00  0.00    -0.126 OA
ATOM     14  N   LIG    1       -1.551   1.336  -1.641  0.00  0.00    +0.057 N 
ATOM     15  O   LIG    1       -2.158   1.259  -0.565  0.00  0.00    -0.126 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        1.224  -3.175   2.038  0.00  0.00    +0.114 C 
BRANCH  16  17
ATOM     17  S   LIG    1        0.544  -2.670   3.641  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.208  -1.074   3.769  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        1.011  -0.092   2.836  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        1.710   0.956   3.373  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        2.291   0.644   4.513  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        1.960  -0.671   4.772  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        1.724   2.208   2.631  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        0.928   2.410   1.500  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        0.995   3.633   0.853  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        1.792   4.648   1.249  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        2.551   4.437   2.344  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        2.551   3.252   3.059  0.00  0.00    +0.033 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6