REMARK  Name = BDB051883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.941  -0.797   0.583  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.518  -1.382   1.383  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1       -0.333  -1.378  -0.103  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.508  -0.944  -1.104  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1        1.786  -0.616  -0.709  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        3.055  -0.582   1.327  0.00  0.00    -0.264 N 
ATOM      7  H   LIG    1        2.938  -0.791   2.308  0.00  0.00    +0.157 HD
BRANCH   6  14
ATOM      8  C   LIG    1        8.161   1.383  -0.778  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        6.859   1.045  -1.171  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.960   0.593  -0.195  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        6.382   0.494   1.124  0.00  0.00    +0.067 A 
ATOM     12  N   LIG    1        5.276   0.032   1.789  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1        5.223  -0.158   2.776  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        4.250  -0.131   0.887  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        7.672   0.823   1.546  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        4.650   0.205  -0.318  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1        8.557   1.272   0.558  0.00  0.00    +0.002 A 
ENDBRANCH   6  14
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1       -1.763  -1.803  -0.188  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.723  -0.624   0.013  0.00  0.00    +0.108 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.103  -1.079  -0.128  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1       -4.301  -1.622  -0.964  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -5.080  -0.100   0.073  0.00  0.00    +0.136 A 
ATOM     23  C   LIG    1       -6.361  -0.200  -0.490  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -7.295   0.801  -0.243  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -8.541   0.548  -0.890  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -8.532  -0.626  -1.608  0.00  0.00    +0.048 A 
ATOM     27  N   LIG    1       -7.026   1.882   0.527  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -5.787   1.894   1.025  0.00  0.00    +0.223 A 
ATOM     29  S   LIG    1       -7.025  -1.424  -1.506  0.00  0.00    -0.092 S 
ATOM     30  N   LIG    1       -4.821   0.981   0.840  0.00  0.00    -0.220 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6