REMARK  Name = BDB059168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.852  -0.900   1.424  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.639  -0.992   0.870  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.062   0.154   0.690  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.444   1.395   1.038  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.716   1.385   1.585  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -2.417   0.249   1.802  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.390  -0.062   0.088  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.504  -0.697  -1.161  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.754  -0.916  -1.749  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.923  -0.521  -1.093  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        5.262  -0.722  -1.738  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.822   0.111   0.149  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.572   0.329   0.737  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        0.290   2.602   0.832  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        0.901   3.580   0.697  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -2.799  -2.372   1.692  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.603  -3.621   1.133  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.599  -6.088   1.379  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -2.154  -4.977   1.270  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -2.567   2.871   2.101  0.00  0.00    -0.042 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.189   3.357   0.535  0.00  0.00    +0.141 A 
ATOM     22  S   LIG    1       -4.489   4.468   0.383  0.00  0.00    -0.069 S 
ATOM     23  C   LIG    1       -4.369   4.356  -1.323  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1       -3.349   3.492  -1.659  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1       -2.674   2.924  -0.596  0.00  0.00    -0.241 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7