REMARK  Name = BDB061593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.062  -0.649   0.643  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -1.045  -0.979  -0.029  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.236  -0.547   0.453  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -2.332   0.191   1.621  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.127   0.492   2.237  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.069   0.068   1.769  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.390  -0.955  -0.371  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.316  -0.022  -0.867  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -5.405  -0.429  -1.645  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.595  -1.780  -1.951  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -6.743  -2.210  -2.814  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.661  -2.713  -1.493  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.575  -2.305  -0.714  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -3.587   0.585   2.176  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -4.603   0.902   2.638  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        1.595  -1.246  -0.011  0.00  0.00    -0.081 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.750  -0.135   0.847  0.00  0.00    +0.112 C 
BRANCH  17  22
ATOM     18  C   LIG    1        8.217  -1.031  -0.963  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.821  -0.779  -0.477  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        5.992   0.127  -1.147  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.679   0.338  -0.718  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.171  -0.356   0.388  0.00  0.00    -0.037 A 
ATOM     23  C   LIG    1        4.996  -1.280   1.043  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.308  -1.491   0.613  0.00  0.00    +0.003 A 
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  S   LIG    1       -1.012   1.445   3.745  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.187   3.046   3.049  0.00  0.00    +0.141 A 
ATOM     27  S   LIG    1       -0.825   4.465   3.945  0.00  0.00    -0.069 S 
ATOM     28  C   LIG    1       -1.277   5.418   2.594  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1       -1.675   4.598   1.561  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1       -1.625   3.242   1.823  0.00  0.00    -0.241 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7