REMARK  Name = BDB061590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.036   0.160  -1.706  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -0.684  -0.771  -1.066  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.408  -0.372   0.008  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.390   0.936   0.467  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.633   1.823  -0.280  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.083   1.449  -1.363  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.197  -1.455   0.625  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.590  -1.354   0.785  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.325  -2.388   1.371  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.682  -3.547   1.798  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.306  -3.677   1.632  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.572  -2.642   1.047  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -2.081   1.335   1.651  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -2.632   1.655   2.622  0.00  0.00    -0.191 NA
ENDBRANCH   4  13
BRANCH   1  15
ATOM     15  S   LIG    1        0.969  -0.332  -3.125  0.00  0.00    -0.081 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.951  -1.661  -2.371  0.00  0.00    +0.112 C 
BRANCH  16  21
ATOM     17  C   LIG    1        5.562   0.251   1.788  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.654  -0.269   0.714  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        4.869   0.076  -0.625  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.003  -0.379  -1.622  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.898  -1.178  -1.298  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1        2.681  -1.514   0.045  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.547  -1.058   1.042  0.00  0.00    +0.003 A 
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  S   LIG    1       -0.489   3.559   0.118  0.00  0.00    -0.042 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.984   4.104  -0.618  0.00  0.00    +0.141 A 
ATOM     26  S   LIG    1       -2.228   5.744  -1.067  0.00  0.00    -0.069 S 
ATOM     27  C   LIG    1       -3.805   5.348  -1.608  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -4.042   4.007  -1.403  0.00  0.00    +0.120 A 
ATOM     29  N   LIG    1       -3.002   3.297  -0.833  0.00  0.00    -0.241 NA
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7