REMARK  Name = BDB002187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.106  -0.888   0.817  0.00  0.00    -0.169 N 
ATOM      2  C   LIG    1        0.459  -2.201   0.586  0.00  0.00    +0.138 C 
ATOM      3  S   LIG    1       -0.535  -3.541   0.591  0.00  0.00    -0.026 S 
ATOM      4  S   LIG    1        2.196  -2.278   0.326  0.00  0.00    -0.059 S 
ATOM      5  C   LIG    1        2.408  -0.577   0.531  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1        3.524   0.160   0.434  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        1.099   0.076   0.823  0.00  0.00    +0.275 C 
ATOM      8  O   LIG    1        0.964   1.270   1.061  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.819  -0.358   0.160  0.00  0.00    +0.043 A 
ATOM     10  N   LIG    1        5.662   0.311  -0.708  0.00  0.00    -0.350 N 
ATOM     11  C   LIG    1        5.360   1.514  -1.457  0.00  0.00    +0.149 C 
ATOM     12  C   LIG    1        6.858  -0.358  -0.798  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1        6.794  -1.464   0.016  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        5.516  -1.463   0.620  0.00  0.00    +0.027 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     15  C   LIG    1       -1.919  -0.137  -0.184  0.00  0.00    +0.261 C 
ATOM     16  N   LIG    1       -1.229  -0.487   0.961  0.00  0.00    -0.222 N 
ATOM     17  H   LIG    1       -1.695  -0.731   1.826  0.00  0.00    +0.174 HD
ATOM     18  O   LIG    1       -1.411  -0.115  -1.301  0.00  0.00    -0.269 OA
BRANCH  15  23
ATOM     19  C   LIG    1       -7.565   1.034   0.391  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.105   0.711   0.263  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -5.220   1.003   1.309  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.854   0.734   1.181  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -3.362   0.170  -0.003  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.237  -0.093  -1.062  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -5.601   0.176  -0.928  0.00  0.00    +0.004 A 
ENDBRANCH  15  23
ENDBRANCH   1  16
TORSDOF 3