REMARK  Name = BDB025458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.440   0.997   1.040  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.224   1.884   0.999  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        2.005   1.096   0.633  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.851   1.659   0.284  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.021   0.614   0.077  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.666  -0.615   0.195  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.386   0.943  -0.142  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.705   2.127  -0.246  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.931  -0.308   0.642  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.095  -1.159   0.998  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.184  -0.325   1.701  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.374  -0.209  -0.147  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.692   0.077  -0.867  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.884  -0.487  -0.376  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.086  -0.240  -1.054  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.117   0.550  -2.203  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.937   1.088  -2.701  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -4.905  -1.369   0.707  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.701  -1.221   1.322  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.661  -1.718   1.367  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -3.731   0.844  -2.046  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.663  -0.579   1.315  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     23  C   LIG    1        6.999   0.628   0.282  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1        5.385   1.014  -0.365  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        4.965  -0.078  -1.214  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        5.447   2.372  -0.858  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   6  27
ATOM     27  N   LIG    1        0.172  -1.854  -0.079  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -0.270  -1.982  -0.992  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.831  -2.627   0.029  0.00  0.00    +0.144 HD
ENDBRANCH   6  27
TORSDOF 3