REMARK  Name = BDB051196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.789  -1.405   0.043  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        1.020  -2.787  -0.088  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.019  -3.510  -0.689  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.137  -4.880  -0.866  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.290  -5.553  -0.454  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.317  -4.848   0.155  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.153  -2.943  -1.101  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -1.288  -1.625  -0.911  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1        2.186  -3.474   0.341  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.370  -0.842  -0.337  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.811  -0.579   0.595  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.698  -0.808   0.157  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1        0.208   3.817   2.351  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        0.983   2.673   1.820  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        2.294   2.797   1.579  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        2.647   1.586   1.115  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        3.616   1.439   0.865  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        1.614   0.690   1.039  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        0.517   1.375   1.509  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -2.818  -0.899  -1.465  0.00  0.00    -0.048 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.507   0.850  -1.248  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -1.639   1.602  -2.057  0.00  0.00    +0.055 A 
ATOM     23 CL   LIG    1       -0.775   0.916  -3.391  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -1.452   2.968  -1.811  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -2.137   3.597  -0.771  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.012   2.865   0.025  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.198   1.501  -0.212  0.00  0.00    +0.016 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4