REMARK  Name = BDB036884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.006   0.908   0.773  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1        0.640   1.763   0.344  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.536  -0.108  -0.162  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1        1.656   0.573  -1.526  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        0.665   0.958  -2.147  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        2.918   0.859  -1.977  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.962   1.357  -2.857  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.037   0.995  -1.196  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.017   1.609  -1.606  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.961   0.434   0.203  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.887  -0.638   0.306  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1       -0.000   0.401   2.026  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        0.677  -0.672   2.719  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -0.444   1.596   2.705  0.00  0.00    -0.153 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -4.222   0.957  -1.054  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.316   0.051  -0.272  0.00  0.00    -0.049 A 
ATOM     17  C   LIG    1       -2.220   0.574   0.424  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -1.398  -0.279   1.169  0.00  0.00    +0.106 A 
ATOM     19  C   LIG    1       -1.673  -1.645   1.255  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -2.774  -2.164   0.576  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.591  -1.320  -0.182  0.00  0.00    +0.003 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
TORSDOF 3