REMARK  Name = BDB061546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.350   1.312   0.056  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.332   2.594  -0.470  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.638   3.534   0.274  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -0.039   3.247   1.451  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -0.096   1.981   1.871  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1       -0.728   0.999   1.218  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -1.864  -2.129  -1.444  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -3.216  -2.062  -1.811  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1       -3.986  -0.921  -1.539  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.378   0.173  -0.916  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -2.010   0.155  -0.582  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.270  -1.015  -0.846  0.00  0.00    +0.059 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -0.024  -3.563  -0.996  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -1.202  -3.292  -1.742  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1       -3.812  -3.167  -2.377  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -3.752  -3.074  -3.799  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
BRANCH   9  17
ATOM     17  O   LIG    1       -5.307  -0.977  -1.903  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -6.052   0.233  -1.856  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1       -1.971   2.918  -1.704  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -2.529   3.178  -2.688  0.00  0.00    -0.191 NA
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  S   LIG    1       -0.475   5.243  -0.224  0.00  0.00    -0.042 S 
BRANCH  21  22
ATOM     22  C   LIG    1        0.858   5.048  -1.348  0.00  0.00    +0.141 A 
ATOM     23  S   LIG    1        1.796   6.383  -1.880  0.00  0.00    -0.069 S 
ATOM     24  C   LIG    1        2.719   5.327  -2.864  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        2.251   4.039  -2.727  0.00  0.00    +0.120 A 
ATOM     26  N   LIG    1        1.185   3.880  -1.862  0.00  0.00    -0.241 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  27
ATOM     27  S   LIG    1        0.713   1.612   3.403  0.00  0.00    -0.086 S 
BRANCH  27  28
ATOM     28  C   LIG    1        1.175  -0.136   3.134  0.00  0.00    +0.081 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.265  -0.349   2.060  0.00  0.00    -0.001 C 
ATOM     30  C   LIG    1        2.449  -1.851   1.771  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        3.170  -2.595   2.894  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.503  -1.940   3.238  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        4.347  -0.453   3.545  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1        3.625   0.281   2.416  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 10