REMARK  Name = BDB000187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.553  -0.061   0.200  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1        0.816   1.463   0.091  0.00  0.00    -0.051 S 
ATOM      3  C   LIG    1       -0.713   0.714  -0.175  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.539  -0.665  -0.178  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        0.761  -1.095   0.064  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.909   1.552  -0.306  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -1.990   2.547  -1.292  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.139   3.332  -1.417  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.218   3.131  -0.558  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.150   2.146   0.425  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.002   1.361   0.551  0.00  0.00    +0.009 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  C   LIG    1       -1.594  -1.651  -0.386  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.649  -2.780   0.444  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.645  -3.743   0.267  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.589  -3.591  -0.747  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.534  -2.482  -1.588  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.538  -1.518  -1.413  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  C   LIG    1        3.856   0.736   0.560  0.00  0.00    +0.235 C 
ATOM     19  N   LIG    1        2.892  -0.239   0.428  0.00  0.00    -0.263 N 
ATOM     20  H   LIG    1        3.153  -1.215   0.467  0.00  0.00    +0.157 HD
ATOM     21  O   LIG    1        3.692   1.951   0.475  0.00  0.00    -0.274 OA
BRANCH  18  23
ATOM     22  C   LIG    1        5.335  -0.485   2.214  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.261   0.141   0.826  0.00  0.00    +0.135 C 
BRANCH  23  24
ATOM     24  N   LIG    1        6.290   1.193   0.710  0.00  0.00    -0.320 NA
ATOM     25  H   LIG    1        6.178   1.642  -0.203  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        6.044   1.941   1.365  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   1  19
TORSDOF 5