REMARK  Name = BDB053464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.594   0.637  -0.196  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        0.334  -0.096  -0.195  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.862   0.579  -0.240  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.850  -0.380  -0.226  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.169  -1.585  -0.173  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -0.854   1.960  -0.286  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.331   2.590  -0.285  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        0.192  -1.404  -0.153  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        1.554   1.950  -0.240  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.391  -0.215  -0.261  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.290  -1.258  -0.243  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -5.530  -0.689  -0.285  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -6.801  -1.372  -0.286  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -5.499   0.654  -0.330  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -4.194   0.939  -0.315  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.768  -0.081  -0.149  0.00  0.00    -0.275 N 
ATOM     17  H   LIG    1        2.626  -1.086  -0.118  0.00  0.00    +0.156 HD
BRANCH  16  21
ATOM     18  C   LIG    1        7.539  -0.616  -0.041  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        6.261   0.131  -0.090  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        5.054  -0.556  -0.090  0.00  0.00    -0.209 NA
ATOM     21  C   LIG    1        4.059   0.308  -0.138  0.00  0.00    +0.183 A 
ATOM     22  S   LIG    1        4.660   1.929  -0.181  0.00  0.00    +0.049 S 
ATOM     23  N   LIG    1        6.261   1.463  -0.135  0.00  0.00    -0.193 NA
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 3