REMARK  Name = BDB051200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.085  -0.626   0.514  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.291  -1.604   1.148  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.069  -1.288   1.256  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.927  -2.204   1.853  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.470  -3.423   2.359  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.123  -3.740   2.274  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.585  -0.141   0.814  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -0.745   0.736   0.252  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1        0.755  -2.839   1.675  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.573   0.553   0.106  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.480  -0.853   0.358  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.680  -1.825   0.147  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1        6.505   1.635  -1.207  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        5.159   1.216  -0.750  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        4.190   2.126  -0.590  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        3.134   1.398  -0.180  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        2.241   1.853  -0.018  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        3.396   0.058  -0.060  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        4.711  -0.090  -0.434  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -1.391   2.292  -0.323  0.00  0.00    -0.048 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.090   1.861  -0.685  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.481   1.032  -1.752  0.00  0.00    +0.056 A 
ATOM     23 CL   LIG    1       -2.343   0.339  -2.857  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -4.832   0.743  -1.967  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -5.799   1.283  -1.123  0.00  0.00    +0.042 A 
ATOM     26 CL   LIG    1       -7.460   0.925  -1.387  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -5.431   2.115  -0.069  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -4.082   2.404   0.147  0.00  0.00    +0.018 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4