REMARK  Name = BDB001615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.307   0.667  -0.201  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.010  -0.675  -0.088  0.00  0.00    -0.170 N 
ATOM      3  C   LIG    1        1.243  -1.355  -0.052  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        1.247  -2.571  -0.258  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -1.153  -1.389   0.004  0.00  0.00    -0.138 NA
ATOM      6  C   LIG    1       -2.084  -0.432   0.023  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1       -1.602   0.842  -0.093  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.550  -0.735   0.239  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        2.747  -0.026   1.430  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.999   0.528   1.700  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.049   0.358   0.795  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.857  -0.375  -0.377  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.608  -0.932  -0.654  0.00  0.00    +0.013 A 
ENDBRANCH   3   8
BRANCH   6  14
ATOM     14  C   LIG    1       -3.611  -0.740   0.159  0.00  0.00    +0.173 A 
ATOM     15  O   LIG    1       -4.600   0.206   0.184  0.00  0.00    -0.460 OA
ATOM     16  C   LIG    1       -5.781  -0.451   0.313  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1       -5.575  -1.808   0.372  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -4.175  -1.996   0.273  0.00  0.00    +0.053 A 
ENDBRANCH   6  14
BRANCH   1  20
ATOM     19  C   LIG    1       -0.304   3.357  -0.676  0.00  0.00    +0.093 C 
ATOM     20  S   LIG    1        0.812   1.940  -0.566  0.00  0.00    -0.089 S 
ENDBRANCH   1  20
TORSDOF 3