REMARK  Name = BDB061600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.783   0.086   1.661  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -1.207   0.572   0.490  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -1.273  -0.302  -0.538  0.00  0.00    +0.100 A 
ATOM      4  C   LIG    1       -0.948  -1.639  -0.433  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.566  -2.046   0.831  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.466  -1.195   1.878  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.676   0.326  -1.794  0.00  0.00    +0.039 A 
ATOM      8  S   LIG    1       -3.336   0.630  -2.086  0.00  0.00    -0.095 S 
ATOM      9  C   LIG    1       -3.005   1.302  -3.624  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.658   1.304  -3.910  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -0.888   0.739  -2.851  0.00  0.00    +0.018 A 
ENDBRANCH   3   7
BRANCH   4  12
ATOM     12  C   LIG    1       -0.996  -2.518  -1.554  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -1.005  -3.222  -2.478  0.00  0.00    -0.191 NA
ENDBRANCH   4  12
BRANCH   1  14
ATOM     14  S   LIG    1       -0.634   1.189   3.037  0.00  0.00    -0.081 S 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.002   2.667   2.187  0.00  0.00    +0.112 C 
BRANCH  15  20
ATOM     16  C   LIG    1        5.162   1.872  -0.402  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        3.841   2.108   0.266  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1        3.724   2.010   1.657  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        2.489   2.197   2.281  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        1.341   2.470   1.524  0.00  0.00    -0.037 A 
ATOM     21  C   LIG    1        1.461   2.560   0.130  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        2.697   2.374  -0.493  0.00  0.00    +0.003 A 
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   5  23
ATOM     23  S   LIG    1       -0.117  -3.732   1.217  0.00  0.00    -0.042 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.736  -4.377   1.419  0.00  0.00    +0.141 A 
ATOM     25  S   LIG    1       -2.032  -5.833   2.278  0.00  0.00    -0.069 S 
ATOM     26  C   LIG    1       -3.706  -5.673   1.949  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1       -3.924  -4.534   1.204  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1       -2.797  -3.796   0.899  0.00  0.00    -0.241 NA
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 7