REMARK  Name = BDB051210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.452  -1.502  -1.761  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        1.597  -2.823  -1.605  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        2.381  -3.234  -0.608  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        3.030  -2.351   0.266  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.867  -2.876   1.286  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        4.033  -4.251   1.441  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.374  -5.116   0.581  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.788  -0.983   0.028  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        2.561  -4.601  -0.431  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.023  -0.566  -0.995  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        3.380  -0.015   0.890  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        3.244  -0.293   1.857  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.504   1.306   0.599  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        3.701   2.234   1.587  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        3.763   2.076   2.585  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1        3.825   3.495   1.142  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        3.703   3.375  -0.186  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        3.779   4.572  -1.056  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        3.513   2.029  -0.572  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  S   LIG    1        0.420  -0.946  -3.095  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1       -3.452   0.019  -0.803  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -2.316   0.809  -0.627  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -1.134   0.521  -1.321  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -1.070  -0.568  -2.195  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -2.208  -1.354  -2.382  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -3.389  -1.063  -1.690  0.00  0.00    +0.024 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.976   1.223   0.786  0.00  0.00    +0.217 C 
ATOM     28  N   LIG    1       -4.679   0.240  -0.146  0.00  0.00    -0.286 N 
ATOM     29  H   LIG    1       -5.427  -0.402  -0.379  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1       -4.209   2.076   1.216  0.00  0.00    -0.275 OA
BRANCH  27  32
ATOM     31  C   LIG    1       -6.784   2.194   2.264  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -6.423   1.127   1.246  0.00  0.00    +0.093 C 
ENDBRANCH  27  32
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6