REMARK  Name = BDB001854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.056  -2.096   1.271  0.00  0.00    +0.160 A 
ATOM      2  N   LIG    1        0.094  -1.797   0.596  0.00  0.00    -0.190 N 
ATOM      3  C   LIG    1        0.431  -2.928  -0.062  0.00  0.00    +0.218 A 
ATOM      4  S   LIG    1        1.861  -2.685  -0.956  0.00  0.00    -0.025 S 
ATOM      5  C   LIG    1        1.849  -1.011  -0.313  0.00  0.00    +0.151 A 
ATOM      6  N   LIG    1       -0.408  -3.896   0.168  0.00  0.00    -0.120 NA
ATOM      7  N   LIG    1        0.868  -0.685   0.494  0.00  0.00    -0.154 NA
ATOM      8  N   LIG    1       -1.367  -3.364   1.028  0.00  0.00    -0.131 NA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.933  -0.077  -0.714  0.00  0.00    +0.098 A 
ATOM     10  N   LIG    1        3.911  -0.560  -1.519  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        4.891   0.298  -1.877  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        4.944   1.620  -1.467  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        3.932   2.096  -0.641  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.906   1.237  -0.254  0.00  0.00    +0.030 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     15  C   LIG    1       -1.786  -1.125   2.121  0.00  0.00    +0.113 C 
BRANCH  15  19
ATOM     16  C   LIG    1       -4.064   1.709  -0.203  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.875   2.105   0.405  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.137   1.192   1.161  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.587  -0.127   1.318  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -3.783  -0.516   0.695  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.518   0.399  -0.060  0.00  0.00    +0.000 A 
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 3