REMARK  Name = BDB038870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.164  -1.365   0.054  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -3.295  -0.549  -0.077  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -3.404   0.806  -0.304  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -2.619   1.431  -0.424  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -4.720   1.197  -0.357  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -5.494   0.052  -0.180  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -6.898   0.178  -0.199  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -7.472   1.440  -0.392  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.671   2.565  -0.566  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.277   2.466  -0.553  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -4.596  -1.051  -0.015  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.779  -2.426   0.180  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -3.623  -3.183   0.283  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -2.349  -2.700   0.221  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        1.896   0.074  -0.104  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        1.460  -0.968  -0.935  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        0.141  -1.436  -0.876  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -0.790  -0.871   0.007  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -0.351   0.164   0.847  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        0.969   0.630   0.790  0.00  0.00    +0.009 A 
BRANCH  15  24
ATOM     21  C   LIG    1        5.930   1.503  -0.279  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1        5.166   1.448  -1.445  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.852   0.976  -1.383  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.283   0.565  -0.164  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        4.072   0.645   0.998  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        5.387   1.115   0.947  0.00  0.00    +0.027 A 
BRANCH  21  28
ATOM     27  C   LIG    1        8.560   0.652  -0.600  0.00  0.00    +0.200 C 
ATOM     28  S   LIG    1        7.595   2.119  -0.346  0.00  0.00    -0.006 S 
ATOM     29  O   LIG    1        7.917   2.651   0.965  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1        7.708   2.945  -1.532  0.00  0.00    -0.170 OA
ENDBRANCH  21  28
ENDBRANCH  15  24
ENDBRANCH   1  18
BRANCH  13  31
ATOM     31  C   LIG    1       -3.718  -4.659   0.485  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1       -4.755  -5.294   0.552  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1       -2.478  -5.198   0.585  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1       -1.814  -4.471   0.506  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  13  31
TORSDOF 5