REMARK  Name = BDB028649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369  -0.044  -0.292  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.177   0.868  -1.347  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.300   1.390  -1.968  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        1.922   2.281  -2.922  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.543   2.378  -2.942  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        3.616   1.061  -1.649  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.803   0.151  -0.597  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.106   1.496  -2.038  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        2.686  -0.379   0.076  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.313  -1.931   0.599  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        0.285  -0.516   0.404  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.272   1.367  -1.842  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -1.741   2.091  -2.390  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -1.993  -0.094  -2.308  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -2.677   0.203  -3.551  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -1.071  -1.202  -2.201  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.247  -0.326  -1.070  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -3.013   0.053   0.254  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -4.016  -0.116   1.216  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1       -3.785   0.315   2.634  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.258  -0.638   0.825  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.496  -1.023  -0.502  0.00  0.00    -0.048 A 
ATOM     23  C   LIG    1       -6.840  -1.553  -0.909  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.485  -0.852  -1.454  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1        5.199  -0.246  -0.175  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.545   0.306   1.128  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        5.475  -0.469   2.232  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.870   0.344   3.214  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        6.204   1.629   2.746  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        5.990   1.572   1.389  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6