REMARK  Name = BDB025388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.178  -0.051   1.460  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.852  -0.736   1.376  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -2.300  -0.518   0.012  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.807   0.311  -0.965  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.946   0.148  -2.054  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.960  -0.699  -1.788  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -4.030   1.117  -0.742  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -1.158  -1.099  -0.506  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -0.263  -1.969   0.145  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.477  -2.256   1.322  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.264   1.277   0.774  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.936  -2.482  -0.634  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        1.967  -1.431  -0.998  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        2.554  -1.433  -2.272  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        3.585  -0.527  -2.541  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        3.982   0.418  -1.589  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.388   0.456  -0.322  0.00  0.00    -0.017 A 
ATOM     18  N   LIG    1        2.239  -2.418  -3.224  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        2.483  -2.111  -4.163  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        0.867  -2.903  -3.150  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        2.391  -0.490  -0.038  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        0.561  -3.450  -1.765  0.00  0.00    +0.036 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.810   1.442   0.686  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.221   1.039   1.968  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        4.620   1.976   2.925  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.614   3.334   2.617  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.211   3.755   1.352  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.813   2.817   0.396  0.00  0.00    +0.008 A 
ENDBRANCH  17  23
ENDBRANCH   9  12
BRANCH   1  30
ATOM     29  C   LIG    1       -4.074   0.817   4.030  0.00  0.00    +0.215 C 
ATOM     30  S   LIG    1       -5.006  -0.223   2.922  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1       -4.855  -1.592   3.366  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -6.316   0.372   2.763  0.00  0.00    -0.158 OA
ENDBRANCH   1  30
BRANCH   5  33
ATOM     33  N   LIG    1       -2.079   0.767  -3.230  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1       -2.623   1.617  -3.312  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -1.272   0.745  -3.844  0.00  0.00    +0.144 HD
ENDBRANCH   5  33
TORSDOF 4