REMARK  Name = BDB036911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.951  -1.447   0.065  0.00  0.00    -0.168 NA
ATOM      2  C   LIG    1        1.014  -1.224   1.512  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.809  -0.634  -0.833  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        3.277  -1.028  -0.677  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        3.701  -2.156  -0.924  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        4.139  -0.074  -0.196  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        5.101  -0.371  -0.103  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.835   1.125   0.389  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.702   1.797   0.941  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.386   1.531   0.398  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.590   0.874  -0.717  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1       -0.441  -2.172  -0.572  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1       -0.960  -3.109   0.401  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -0.165  -2.578  -1.934  0.00  0.00    -0.153 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -4.053   0.956   1.643  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.236   0.596   0.437  0.00  0.00    -0.049 A 
ATOM     17  C   LIG    1       -2.326  -0.467   0.489  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -1.591  -0.813  -0.650  0.00  0.00    +0.106 A 
ATOM     19  C   LIG    1       -1.791  -0.143  -1.860  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -2.707   0.906  -1.917  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.425   1.273  -0.776  0.00  0.00    +0.003 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
TORSDOF 3