REMARK  Name = BDB023383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.395   0.807   0.173  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.813   1.543   0.565  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.793  -0.292  -0.445  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.423  -1.216  -0.938  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.649  -0.236  -0.377  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.254   0.807   0.269  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.598   0.607   0.189  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -2.890  -0.559  -0.514  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.249  -0.932  -0.686  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -5.207  -0.048  -0.115  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -4.895   1.134   0.584  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1       -3.545   1.461   0.746  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -1.615  -1.096  -0.861  0.00  0.00    +0.065 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.983   2.008   1.161  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -6.036   3.479   0.818  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -7.073   2.550   0.265  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
BRANCH   9  17
ATOM     17  N   LIG    1       -4.746  -2.064  -1.375  0.00  0.00    -0.335 N 
ATOM     18  C   LIG    1       -5.370  -3.041  -0.477  0.00  0.00    +0.129 C 
ATOM     19  C   LIG    1       -3.915  -2.651  -2.420  0.00  0.00    +0.129 C 
ENDBRANCH   9  17
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1        2.970   1.274  -0.088  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1        3.195   1.150  -1.511  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        3.069   2.548   0.596  0.00  0.00    -0.150 OA
BRANCH  20  32
ATOM     23  C   LIG    1        7.815   1.723  -1.640  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1        7.239   0.793  -0.616  0.00  0.00    +0.039 A 
ATOM     25  N   LIG    1        5.911   0.889  -0.372  0.00  0.00    -0.250 NA
ATOM     26  C   LIG    1        5.324   0.071   0.529  0.00  0.00    +0.098 A 
ATOM     27  C   LIG    1        6.095  -0.872   1.245  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.505  -1.708   2.209  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        4.147  -1.616   2.489  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        3.369  -0.698   1.796  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1        7.468  -0.956   0.981  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        3.958   0.120   0.816  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        8.049  -0.117   0.039  0.00  0.00    +0.023 A 
ENDBRANCH  20  32
ENDBRANCH   1  20
TORSDOF 5