REMARK  Name = BDB059193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.244   1.316  -0.084  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.609   0.135   0.427  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.988  -0.980  -0.031  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.017  -0.920  -0.982  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.335   0.350  -1.437  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.301   1.468  -1.016  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.481  -2.221   0.597  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.556  -2.320   1.994  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.030  -3.490   2.566  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1       -2.434  -4.560   1.853  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -2.375  -4.450   0.511  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -1.921  -3.320  -0.152  0.00  0.00    +0.030 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        0.696  -2.085  -1.451  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        1.218  -3.039  -1.857  0.00  0.00    -0.191 NA
ENDBRANCH   4  13
BRANCH   1  15
ATOM     15  S   LIG    1       -2.096   2.739   0.533  0.00  0.00    -0.073 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.114   4.055  -0.244  0.00  0.00    +0.165 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -1.989   6.471   0.488  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -1.597   5.384   0.160  0.00  0.00    -0.094 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        1.599   0.662  -2.663  0.00  0.00    -0.042 S 
BRANCH  19  20
ATOM     20  C   LIG    1        3.000   0.584  -1.610  0.00  0.00    +0.141 A 
ATOM     21  S   LIG    1        4.551   1.107  -2.129  0.00  0.00    -0.069 S 
ATOM     22  C   LIG    1        5.197   0.663  -0.604  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        4.196   0.148   0.190  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1        2.940   0.103  -0.386  0.00  0.00    -0.241 NA
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7