REMARK  Name = BDB051069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.061  -0.221  -0.619  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.962  -1.036  -0.328  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.236  -0.472   0.115  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.359   0.909   0.269  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.734   1.727  -0.013  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.937   1.165  -0.455  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.366  -0.825  -1.088  0.00  0.00    +0.060 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.404  -0.993   0.034  0.00  0.00    +0.159 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.773  -1.184  -0.601  0.00  0.00    +0.320 C 
ATOM     10  O   LIG    1       -6.023  -1.931  -1.538  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -8.020  -0.523  -0.495  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -6.696  -0.396   0.029  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  S   LIG    1       -4.020  -2.433   1.119  0.00  0.00    -0.149 S 
ATOM     14  C   LIG    1       -5.247  -2.158   2.421  0.00  0.00    +0.085 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  O   LIG    1        1.581   1.327   0.715  0.00  0.00    -0.490 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.859   2.726   0.652  0.00  0.00    +0.248 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.332   2.980   1.015  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.267   2.612  -0.057  0.00  0.00    -0.285 N 
ATOM     19  C   LIG    1        4.323   3.470  -1.229  0.00  0.00    +0.134 C 
BRANCH  18  20
ATOM     20  C   LIG    1        4.575   1.306  -0.250  0.00  0.00    +0.291 A 
ATOM     21  O   LIG    1        4.407   0.450   0.809  0.00  0.00    -0.424 OA
ATOM     22  C   LIG    1        4.776  -0.765   0.320  0.00  0.00    +0.157 A 
ATOM     23  C   LIG    1        5.170  -0.588  -0.994  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        5.602  -1.700  -1.728  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        5.612  -2.950  -1.089  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.204  -3.086   0.245  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.771  -1.982   0.990  0.00  0.00    +0.048 A 
ATOM     28  N   LIG    1        5.049   0.733  -1.340  0.00  0.00    -0.195 NA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 10