REMARK  Name = BDB056936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362   1.357  -2.124  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1       -0.929   0.168  -1.885  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -1.486  -0.027  -0.680  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -1.506   0.996   0.251  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -0.913   2.198  -0.076  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -0.337   2.388  -1.271  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.063  -1.262  -0.411  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -1.992  -1.827   0.948  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -1.540  -3.306   0.916  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.404  -4.187   0.102  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -1.694  -5.412  -0.257  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.923  -3.482  -1.093  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.126  -2.228  -1.517  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   5  14
ATOM     14  N   LIG    1       -0.858   3.301   0.779  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -0.381   4.046   0.283  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.269   3.500   2.046  0.00  0.00    +0.146 A 
ATOM     17  N   LIG    1       -1.866   2.631   2.867  0.00  0.00    -0.158 NA
ATOM     18  N   LIG    1       -2.070   3.318   4.000  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -2.526   2.843   4.772  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1       -1.618   4.605   3.952  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -1.739   5.535   5.094  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -1.090   4.751   2.689  0.00  0.00    +0.068 A 
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   1  23
ATOM     23  S   LIG    1        0.388   1.623  -3.710  0.00  0.00    -0.081 S 
BRANCH  23  24
ATOM     24  C   LIG    1        1.223   0.024  -3.919  0.00  0.00    +0.112 C 
BRANCH  24  29
ATOM     25  C   LIG    1        5.819  -0.614  -0.391  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.647  -0.477  -1.317  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        4.731   0.339  -2.450  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.628   0.496  -3.293  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.418  -0.153  -3.014  0.00  0.00    -0.037 A 
ATOM     30  C   LIG    1        2.333  -0.956  -1.868  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.435  -1.112  -1.025  0.00  0.00    +0.003 A 
ENDBRANCH  24  29
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6