REMARK  Name = BDB002153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.053   1.224   1.668  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.212  -0.127   1.402  0.00  0.00    +0.114 A 
ATOM      3  C   LIG    1        0.837  -1.148   1.513  0.00  0.00    +0.268 A 
ATOM      4  N   LIG    1        0.430  -2.471   1.411  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.802  -2.870   0.910  0.00  0.00    +0.333 A 
ATOM      6  N   LIG    1       -1.727  -1.869   0.693  0.00  0.00    -0.281 N 
ATOM      7  C   LIG    1       -3.049  -2.202   0.181  0.00  0.00    +0.155 C 
ATOM      8  O   LIG    1       -1.044  -4.053   0.662  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        1.435  -3.503   1.593  0.00  0.00    +0.157 C 
ATOM     10  O   LIG    1        2.017  -0.825   1.634  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.457  -0.510   0.963  0.00  0.00    +0.154 A 
ATOM     12  N   LIG    1       -2.460   0.373   0.770  0.00  0.00    -0.214 NA
ATOM     13  C   LIG    1       -2.216   1.667   1.024  0.00  0.00    +0.135 A 
ATOM     14  N   LIG    1       -1.044   2.122   1.483  0.00  0.00    -0.225 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -3.316   2.674   0.784  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -3.689   2.724  -0.697  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -4.537   2.367   1.649  0.00  0.00    +0.015 C 
ENDBRANCH  13  15
BRANCH   1  18
ATOM     18  S   LIG    1        1.428   1.961   2.345  0.00  0.00    -0.096 S 
BRANCH  18  19
ATOM     19  C   LIG    1        1.834   3.093   0.977  0.00  0.00    +0.172 C 
BRANCH  19  22
ATOM     20  N   LIG    1        2.726   1.207  -0.283  0.00  0.00    -0.267 N 
ATOM     21  H   LIG    1        2.931   0.819   0.635  0.00  0.00    +0.156 HD
ATOM     22  C   LIG    1        2.010   2.385  -0.360  0.00  0.00    +0.229 C 
ATOM     23  O   LIG    1        1.572   2.901  -1.385  0.00  0.00    -0.275 OA
BRANCH  20  28
ATOM     24  C   LIG    1        4.367  -2.540  -3.119  0.00  0.00    +0.089 C 
ATOM     25  C   LIG    1        3.806  -1.322  -2.511  0.00  0.00    +0.136 A 
ATOM     26  O   LIG    1        3.257  -0.419  -3.363  0.00  0.00    -0.358 OA
ATOM     27  N   LIG    1        2.777   0.657  -2.643  0.00  0.00    -0.063 NA
ATOM     28  C   LIG    1        3.039   0.400  -1.359  0.00  0.00    +0.168 A 
ATOM     29  C   LIG    1        3.695  -0.849  -1.228  0.00  0.00    +0.091 A 
ENDBRANCH  20  28
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5