REMARK  Name = BDB036904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.741  -1.631   0.414  0.00  0.00    -0.177 NA
ATOM      2  H   LIG    1       -0.604  -1.595   1.433  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.509  -0.453  -0.060  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1       -2.160   0.207   1.155  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -1.762   0.023   2.305  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.237   1.018   0.897  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.672   1.435   1.709  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.016   0.996  -0.232  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.108   1.555  -0.257  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.440   0.287  -1.436  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.598  -0.909  -1.021  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1        0.760  -1.868  -0.325  0.00  0.00    +0.078 S 
ATOM     13  O   LIG    1        1.352  -3.051   0.259  0.00  0.00    -0.152 OA
ATOM     14  O   LIG    1        0.608  -1.693  -1.752  0.00  0.00    -0.152 OA
BRANCH  12  18
ATOM     15  C   LIG    1        4.925   1.163   0.631  0.00  0.00    +0.150 C 
ATOM     16  N   LIG    1        3.579   0.654   0.541  0.00  0.00    -0.338 N 
ATOM     17  C   LIG    1        3.196  -0.539   0.003  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        1.825  -0.573   0.161  0.00  0.00    +0.211 A 
ATOM     19  N   LIG    1        1.375   0.585   0.778  0.00  0.00    -0.216 NA
ATOM     20  C   LIG    1        2.460   1.295   0.994  0.00  0.00    +0.201 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
TORSDOF 3