REMARK  Name = BDB056053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.052   3.521  -1.945  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.442   1.253   0.801  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -1.044   1.254   0.924  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.241   1.986   0.044  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.814   2.737  -0.990  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -2.209   2.746  -1.116  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.010   2.012  -0.234  0.00  0.00    +0.009 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -5.042  -1.161   2.137  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -4.245  -0.428   1.244  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -3.286   0.478   1.726  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1       -3.154   0.624   3.119  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -3.949  -0.107   4.008  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.896  -1.004   3.520  0.00  0.00    +0.033 A 
BRANCH   8  15
ATOM     14  O   LIG    1       -6.217  -2.135   0.389  0.00  0.00    -0.126 OA
ATOM     15  N   LIG    1       -6.040  -2.102   1.615  0.00  0.00    +0.056 N 
ATOM     16  O   LIG    1       -6.652  -2.805   2.433  0.00  0.00    -0.126 OA
ENDBRANCH   8  15
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1        0.061   2.852  -3.629  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        0.976   1.393  -3.413  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        1.861   1.189  -2.386  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        2.318  -0.075  -2.650  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        1.783  -0.589  -3.737  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        0.921   0.367  -4.236  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        3.284  -0.647  -1.720  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        3.717  -1.971  -1.905  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        4.629  -2.495  -1.012  0.00  0.00    +0.167 A 
ATOM     26  O   LIG    1        5.145  -3.752  -1.049  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        6.018  -3.724   0.099  0.00  0.00    +0.466 C 
ATOM     28  O   LIG    1        6.003  -2.460   0.797  0.00  0.00    -0.453 OA
ATOM     29  C   LIG    1        5.119  -1.759   0.040  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1        4.725  -0.459   0.259  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        3.799   0.099  -0.632  0.00  0.00    +0.017 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6