REMARK  Name = BDB022090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.926   1.190   1.649  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1       -3.128   0.060   0.836  0.00  0.00    +0.204 A 
ATOM      3  C   LIG    1       -2.349  -0.080  -0.323  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1       -1.435   0.909  -0.695  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.227   2.003   0.147  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -1.972   2.154   1.315  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.222   3.024  -0.206  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        1.109   2.634  -0.332  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        1.675   1.373   0.153  0.00  0.00    +0.118 C 
ATOM     10  C   LIG    1        2.502   0.704  -0.953  0.00  0.00    +0.062 C 
ATOM     11  C   LIG    1        3.441   1.696  -1.673  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1        3.473   3.069  -0.997  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        2.063   3.632  -0.805  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1       -0.615   4.171  -0.399  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     15  C   LIG    1        3.199  -0.529  -0.437  0.00  0.00    +0.084 A 
ATOM     16  S   LIG    1        4.504  -0.435   0.679  0.00  0.00    -0.072 S 
ATOM     17  C   LIG    1        4.617  -2.152   0.702  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        3.639  -2.681  -0.142  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1        3.546  -4.081  -0.278  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        4.425  -4.908   0.428  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.392  -4.359   1.264  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.505  -2.973   1.416  0.00  0.00    +0.017 A 
ATOM     23  N   LIG    1        2.835  -1.748  -0.776  0.00  0.00    -0.244 NA
ENDBRANCH  10  15
ENDBRANCH   5   7
BRANCH   1  25
ATOM     24  C   LIG    1       -4.986   1.610   2.631  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.588   1.391   2.834  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   3  26
ATOM     26  O   LIG    1       -2.467  -1.171  -1.146  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -1.470  -2.141  -0.803  0.00  0.00    +0.277 C 
ENDBRANCH   3  26
BRANCH   2  28
ATOM     28  O   LIG    1       -4.016  -0.882   1.284  0.00  0.00    -0.476 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.935  -1.391   0.328  0.00  0.00    +0.324 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.693  -0.372  -0.532  0.00  0.00    +0.248 C 
ATOM     31  O   LIG    1       -6.533   0.405  -0.089  0.00  0.00    -0.272 OA
ATOM     32  N   LIG    1       -5.369  -0.370  -1.862  0.00  0.00    -0.327 N 
ATOM     33  H   LIG    1       -4.444  -0.683  -2.136  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -5.761   0.394  -2.398  0.00  0.00    +0.145 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 7