REMARK  Name = BDB051190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.141   1.749  -0.695  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.987   1.707  -2.023  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.704   0.803  -2.690  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.579  -0.093  -2.061  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.324  -1.004  -2.857  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.182  -1.030  -4.243  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.301  -0.149  -4.853  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.638   0.011  -0.656  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -1.577   0.756  -4.073  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.951   0.956   0.018  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.490  -0.861   0.076  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -3.492  -1.796  -0.318  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -3.787  -0.759   1.397  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -3.514   0.354   2.152  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -3.038   1.193   1.836  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1       -3.906   0.250   3.436  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1       -4.440  -0.972   3.495  0.00  0.00    +0.136 A 
ATOM     18  C   LIG    1       -4.392  -1.644   2.258  0.00  0.00    +0.064 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  S   LIG    1       -0.204   2.959   0.204  0.00  0.00    -0.050 S 
BRANCH  19  23
ATOM     20  C   LIG    1        3.656   0.569   0.944  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.490   0.259   1.645  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        1.313   0.985   1.423  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        1.284   2.025   0.492  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        2.451   2.344  -0.205  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        3.627   1.620   0.019  0.00  0.00    +0.024 A 
BRANCH  20  28
ATOM     26  C   LIG    1        6.585  -1.623   1.852  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        5.146  -1.179   1.944  0.00  0.00    +0.214 C 
ATOM     28  N   LIG    1        4.881  -0.110   1.107  0.00  0.00    -0.286 N 
ATOM     29  H   LIG    1        5.652   0.228   0.545  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1        4.365  -1.736   2.705  0.00  0.00    -0.276 OA
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5