REMARK  Name = BDB053788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.127   0.638   0.166  0.00  0.00    +0.138 A 
ATOM      2  C   LIG    1       -1.219   0.750   0.080  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -1.759   1.996  -0.293  0.00  0.00    -0.194 N 
ATOM      4  C   LIG    1       -0.941   3.108  -0.543  0.00  0.00    +0.253 A 
ATOM      5  N   LIG    1       -1.690   4.129  -0.892  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -2.952   3.631  -0.836  0.00  0.00    +0.247 A 
ATOM      7  N   LIG    1        0.413   3.047  -0.404  0.00  0.00    -0.217 NA
ATOM      8  N   LIG    1       -3.056   2.352  -0.481  0.00  0.00    -0.152 NA
ATOM      9  C   LIG    1        0.894   1.891  -0.060  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.144  -0.367   0.360  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.797  -1.024  -0.692  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.670  -2.083  -0.428  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.895  -2.485   0.887  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -4.970  -3.788   1.210  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -3.257  -1.836   1.942  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -2.385  -0.776   1.680  0.00  0.00    +0.011 A 
ENDBRANCH   2  10
BRANCH   1  18
ATOM     17  O   LIG    1        0.365  -1.951  -0.130  0.00  0.00    -0.164 OA
ATOM     18  S   LIG    1        0.923  -0.830   0.603  0.00  0.00    +0.029 S 
ATOM     19  O   LIG    1        1.021  -0.874   2.051  0.00  0.00    -0.164 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.585  -0.665  -0.022  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1        3.646  -0.434   0.860  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.938  -0.302   0.353  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.166  -0.411  -1.020  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.107  -0.663  -1.893  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.811  -0.798  -1.397  0.00  0.00    +0.027 A 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3