REMARK  Name = BDB050053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.023   0.824   0.752  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.276   0.266   0.432  0.00  0.00    +0.136 A 
ATOM      3  C   LIG    1        2.401   1.095   0.311  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.276   2.478   0.448  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.023   3.030   0.721  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1       -0.098   2.213   0.893  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.764  -1.335   3.114  0.00  0.00    +0.149 C 
ATOM      8  N   LIG    1       -2.858  -0.965   2.050  0.00  0.00    -0.345 N 
ATOM      9  C   LIG    1       -2.925  -1.412   0.756  0.00  0.00    +0.115 A 
ATOM     10  C   LIG    1       -1.881  -0.822   0.066  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.736  -1.114  -1.320  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.599  -1.957  -1.916  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1       -3.630  -2.543  -1.204  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -4.273  -3.175  -1.663  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.153  -0.003   0.956  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.870  -2.322   0.148  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -4.804  -2.866   0.728  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.793  -0.103   2.181  0.00  0.00    +0.095 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        0.851   4.787   0.910  0.00  0.00    -0.006 S 
ATOM     20  O   LIG    1       -0.164   5.016   1.920  0.00  0.00    -0.170 OA
ATOM     21  O   LIG    1        2.182   5.347   1.052  0.00  0.00    -0.170 OA
ATOM     22  C   LIG    1        0.205   5.305  -0.659  0.00  0.00    +0.200 C 
ENDBRANCH   5  19
BRANCH   2  23
ATOM     23  O   LIG    1        1.371  -1.109   0.352  0.00  0.00    -0.453 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.217  -1.660  -0.581  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1        2.240  -1.288  -1.929  0.00  0.00    +0.168 A 
ATOM     26  F   LIG    1        1.437  -0.319  -2.390  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        3.095  -1.920  -2.826  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1        3.915  -2.942  -2.367  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        4.740  -3.558  -3.224  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.891  -3.344  -1.035  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.032  -2.706  -0.138  0.00  0.00    +0.052 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 4