REMARK  Name = BDB001644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.406  -2.089  -0.793  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.326  -1.256  -0.549  0.00  0.00    -0.170 N 
ATOM      3  C   LIG    1       -1.063  -1.482  -0.635  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.449  -2.625  -0.875  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        0.797  -0.050  -0.119  0.00  0.00    -0.138 NA
ATOM      6  C   LIG    1        2.121  -0.229  -0.126  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1        2.533  -1.465  -0.535  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.115  -0.444  -0.429  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.343  -0.848   0.113  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.371   0.078   0.308  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.196   1.417  -0.055  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -5.285   2.420   0.186  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.971   1.819  -0.600  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.940   0.894  -0.798  0.00  0.00    +0.013 A 
ENDBRANCH   3   8
BRANCH   6  15
ATOM     15  C   LIG    1        3.125   0.891   0.295  0.00  0.00    +0.173 A 
ATOM     16  O   LIG    1        2.778   2.149   0.706  0.00  0.00    -0.460 OA
ATOM     17  C   LIG    1        3.928   2.815   0.979  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        5.018   2.010   0.751  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        4.502   0.768   0.309  0.00  0.00    +0.053 A 
ENDBRANCH   6  15
BRANCH   1  21
ATOM     20  C   LIG    1        3.056  -4.180  -1.409  0.00  0.00    +0.093 C 
ATOM     21  S   LIG    1        1.312  -3.714  -1.390  0.00  0.00    -0.089 S 
ENDBRANCH   1  21
TORSDOF 3