REMARK  Name = BDB039707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.270  -0.452   0.759  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -0.261  -0.163  -0.502  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        0.363   0.047  -1.276  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.415  -0.705   1.738  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        6.054   0.298  -0.485  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        4.734   0.314  -0.968  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1        3.709   0.004  -0.075  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        3.913  -0.346   1.251  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.623  -0.579   1.793  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        1.713  -0.363   0.775  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        5.230  -0.403   1.727  0.00  0.00    +0.013 A 
ATOM     12  O   LIG    1        2.380  -0.005  -0.370  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        6.280  -0.093   0.844  0.00  0.00    +0.024 A 
BRANCH   5  15
ATOM     14  C   LIG    1        8.417   0.869  -0.917  0.00  0.00    +0.125 C 
ATOM     15  N   LIG    1        7.087   0.542  -1.399  0.00  0.00    -0.347 N 
ATOM     16  H   LIG    1        6.787   1.144  -2.163  0.00  0.00    +0.146 HD
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1       -1.833  -0.444  -0.941  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -1.901  -0.082  -2.343  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.161  -1.775  -0.486  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.792   0.770  -0.061  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.160   0.556   0.197  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.851   1.539   0.934  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.214   2.698   1.382  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.870   2.907   1.093  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.159   1.950   0.371  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -4.922  -0.601  -0.292  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.284  -0.703  -1.645  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.024  -1.794  -2.106  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.417  -2.795  -1.220  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.069  -2.707   0.126  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.329  -1.617   0.588  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5