REMARK  Name = BDB059285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.441   0.947  -0.197  0.00  0.00    -0.107 NA
ATOM      2  H   LIG    1       -1.330   1.349  -1.142  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        0.965   0.501  -0.540  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1       -0.084   0.504   0.361  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -0.142  -0.176   1.117  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        0.931   1.130  -1.594  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1        4.574  -0.546  -0.238  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        3.417   0.166  -0.564  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        2.159  -0.297  -0.163  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.053  -1.500   0.544  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.208  -2.213   0.869  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.465  -1.736   0.484  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1        5.737   0.023  -0.678  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.094   0.117  -1.013  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        6.949  -0.682  -0.415  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1       -2.588  -0.332  -0.293  0.00  0.00    +0.080 S 
ATOM     17  O   LIG    1       -2.846  -0.496  -1.706  0.00  0.00    -0.151 OA
ATOM     18  O   LIG    1       -2.077  -1.432   0.506  0.00  0.00    -0.151 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.969   0.363   0.549  0.00  0.00    +0.183 A 
ATOM     20  C   LIG    1       -5.225   0.540  -0.044  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -6.256   1.101   0.727  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -6.042   1.470   2.059  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.794   1.278   2.638  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -3.767   0.723   1.883  0.00  0.00    +0.153 A 
ATOM     25  F   LIG    1       -2.578   0.547   2.478  0.00  0.00    -0.203 F 
BRANCH  20  26
ATOM     26  O   LIG    1       -5.386   0.146  -1.339  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -6.643   0.356  -1.968  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7