REMARK  Name = BDB061110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.947   0.692   0.550  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -4.478  -0.483   0.205  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -3.621  -1.371  -0.327  0.00  0.00    +0.272 A 
ATOM      4  N   LIG    1       -2.302  -1.229  -0.533  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1       -1.786  -0.045  -0.160  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.589   0.940   0.399  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.330   0.117  -0.367  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.252   1.379  -0.608  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.645   1.515  -0.795  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.498   2.625  -1.045  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        3.785   2.151  -1.141  0.00  0.00    +0.087 A 
ATOM     12  N   LIG    1        3.748   0.791  -0.961  0.00  0.00    -0.347 N 
ATOM     13  C   LIG    1        2.449   0.375  -0.748  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        1.909  -0.897  -0.521  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        0.523  -0.999  -0.337  0.00  0.00    +0.012 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.921  -0.071  -1.002  0.00  0.00    +0.123 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.493  -0.317   0.392  0.00  0.00    +0.037 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.665  -1.304   0.376  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.776  -0.901  -0.501  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        8.722  -2.011  -0.653  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        8.482   0.276   0.013  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   5   7
BRANCH   3  22
ATOM     22  S   LIG    1       -4.308  -2.951  -0.785  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1       -4.526  -2.957  -2.223  0.00  0.00    -0.167 OA
ATOM     24  O   LIG    1       -3.530  -3.999  -0.142  0.00  0.00    -0.167 OA
ATOM     25  C   LIG    1       -5.905  -2.974  -0.017  0.00  0.00    +0.204 C 
ENDBRANCH   3  22
BRANCH   1  26
ATOM     26  N   LIG    1       -4.726   1.689   1.140  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1       -4.502   2.594   0.733  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -6.174   1.540   1.343  0.00  0.00    +0.068 C 
ATOM     29  C   LIG    1       -6.494   0.445   2.361  0.00  0.00    +0.028 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -6.787   2.545  -0.924  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -6.975   1.382   0.041  0.00  0.00    +0.018 C 
ENDBRANCH  28  31
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 9