REMARK  Name = BDB038887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.131  -0.988   0.343  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.187  -0.180  -0.097  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.183   1.073  -0.672  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.351   1.609  -0.873  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -2.460   1.499  -0.946  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.325   0.479  -0.554  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -4.713   0.660  -0.735  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1       -5.166   1.856  -1.297  0.00  0.00    +0.118 A 
ATOM      9  C   LIG    1       -4.285   2.858  -1.679  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.907   2.699  -1.511  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.522  -0.584  -0.030  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.818  -1.849   0.493  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -1.731  -2.609   0.895  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.425  -2.223   0.828  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        3.998   0.116   0.214  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        3.589  -1.108  -0.316  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        2.236  -1.457  -0.272  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.279  -0.598   0.299  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        1.725   0.618   0.850  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.076   0.977   0.810  0.00  0.00    +0.027 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.947   1.223  -1.439  0.00  0.00    +0.200 C 
ATOM     22  S   LIG    1        5.723   0.547   0.185  0.00  0.00    -0.006 S 
ATOM     23  O   LIG    1        5.922   1.616   1.145  0.00  0.00    -0.170 OA
ATOM     24  O   LIG    1        6.479  -0.687   0.273  0.00  0.00    -0.170 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH   8  25
ATOM     25  O   LIG    1       -6.498   2.082  -1.492  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -6.995   1.307  -1.181  0.00  0.00    +0.292 HD
ENDBRANCH   8  25
BRANCH  13  27
ATOM     27  C   LIG    1       -1.951  -3.973   1.458  0.00  0.00    +0.355 C 
ATOM     28  O   LIG    1       -3.035  -4.514   1.580  0.00  0.00    -0.243 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -0.768  -4.531   1.816  0.00  0.00    -0.476 OA
ATOM     30  HXT LIG    1       -0.045  -3.887   1.624  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  13  27
TORSDOF 5