REMARK  Name = BDB061935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.750  -0.139   0.061  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.231  -1.258   0.898  0.00  0.00    -0.055 S 
ATOM      3  C   LIG    1        1.616  -0.486   0.282  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1        3.011  -0.900   0.591  0.00  0.00    +0.152 C 
ATOM      5  N   LIG    1        3.964  -0.107  -0.210  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        3.604   1.300  -0.497  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        2.242   1.431  -1.199  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1        5.271  -0.595  -0.254  0.00  0.00    +0.240 C 
ATOM      9  O   LIG    1        5.578  -1.653   0.299  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1        1.242   0.574  -0.514  0.00  0.00    +0.057 A 
ATOM     11  N   LIG    1       -0.115   0.775  -0.640  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.924  -1.042   0.778  0.00  0.00    +0.223 C 
ATOM     13  N   LIG    1       -2.121  -0.161   0.094  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1       -2.523   0.576  -0.469  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1       -2.551  -1.972   1.486  0.00  0.00    -0.275 OA
BRANCH  12  18
ATOM     16  N   LIG    1       -5.961   0.040  -1.034  0.00  0.00    -0.269 N 
ATOM     17  C   LIG    1       -4.872  -0.964  -0.846  0.00  0.00    +0.129 C 
ATOM     18  C   LIG    1       -4.416  -0.803   0.602  0.00  0.00    +0.095 C 
ATOM     19  C   LIG    1       -4.884   0.591   0.999  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -6.204   0.724   0.260  0.00  0.00    +0.117 C 
BRANCH  16  22
ATOM     21  N   LIG    1       -7.639  -0.070  -2.880  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -6.861  -0.018  -2.026  0.00  0.00    +0.169 C 
ENDBRANCH  16  22
ENDBRANCH  12  18
ENDBRANCH   1  13
BRANCH   8  23
ATOM     23  C   LIG    1        6.305   0.243  -1.013  0.00  0.00    +0.277 C 
BRANCH  23  24
ATOM     24  N   LIG    1        7.554  -0.511  -1.220  0.00  0.00    -0.101 NA
ATOM     25  N   LIG    1        8.254  -0.688  -0.204  0.00  0.00    -0.167 NA
ATOM     26  N   LIG    1        8.908  -0.821   0.719  0.00  0.00    +0.068 NA
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 5