REMARK  Name = BDB003662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.574   0.797   1.512  0.00  0.00    +0.139 C 
ATOM      2  S   LIG    1       -0.113   1.488   2.964  0.00  0.00    -0.018 S 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        0.204   0.530   0.413  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1       -0.317   0.583  -0.453  0.00  0.00    +0.154 HD
BRANCH   3   8
ATOM      5  C   LIG    1        4.363   0.117  -0.264  0.00  0.00    -0.048 A 
ATOM      6  C   LIG    1        3.863   0.005   1.037  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        2.493   0.141   1.292  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        1.601   0.408   0.255  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.100   0.501  -1.050  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.468   0.367  -1.308  0.00  0.00    +0.005 A 
BRANCH   5  12
ATOM     11  C   LIG    1        6.548   1.334  -0.438  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        5.841  -0.009  -0.531  0.00  0.00    +0.032 C 
ENDBRANCH   5  12
ENDBRANCH   3   8
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  N   LIG    1       -1.922   0.580   1.352  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1       -2.471   1.022   2.080  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.636  -0.260   0.460  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -4.030  -0.032   0.255  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.738  -0.914  -0.595  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.101  -0.686  -0.799  0.00  0.00    +0.119 A 
ATOM     19  N   LIG    1       -6.805   0.328  -0.248  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1       -6.117   1.167   0.545  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -4.081  -1.987  -1.216  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.726  -2.205  -0.998  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.763   1.036   0.820  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -2.012  -1.353  -0.159  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5