REMARK  Name = BDB002025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.443   0.987  -0.965  0.00  0.00    -0.270 N 
ATOM      2  C   LIG    1       -2.987   1.627  -2.062  0.00  0.00    +0.180 A 
ATOM      3  S   LIG    1       -4.288   1.264  -3.030  0.00  0.00    -0.011 S 
ATOM      4  N   LIG    1       -2.148   2.709  -2.315  0.00  0.00    -0.254 N 
ATOM      5  H   LIG    1       -2.228   3.366  -3.082  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1       -1.102   2.720  -1.440  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.319   1.682  -0.669  0.00  0.00    +0.154 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -4.178  -0.276   0.223  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1       -2.902  -0.203  -0.369  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -2.078  -1.338  -0.384  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.518  -2.538   0.174  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.781  -2.610   0.754  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.607  -1.484   0.784  0.00  0.00    +0.048 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.301   0.765   0.458  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.893   0.894   0.297  0.00  0.00    -0.493 OA
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.424   1.380   0.518  0.00  0.00    +0.181 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.954   1.666   0.155  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1        1.141   2.622  -0.127  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.737   0.675  -0.413  0.00  0.00    +0.251 C 
ATOM     20  O   LIG    1        1.369  -0.493  -0.489  0.00  0.00    -0.272 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.091   1.188  -0.922  0.00  0.00    +0.324 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.017   0.197  -1.330  0.00  0.00    -0.483 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.773  -0.410  -0.366  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.587  -0.312   1.014  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1        5.441  -0.992   1.888  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.479  -1.776   1.389  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.664  -1.886   0.013  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.811  -1.207  -0.858  0.00  0.00    +0.045 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 7