REMARK  Name = BDB001720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.619  -0.470  -1.885  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.274   0.682  -1.168  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.250   1.609  -0.800  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.591   1.403  -1.145  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -2.938   0.250  -1.860  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.961  -0.678  -2.227  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.435  -1.480  -2.264  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.423  -2.738  -1.386  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.831  -2.504   0.072  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.666  -4.334   0.188  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.389  -2.891   0.270  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.256  -2.106   0.228  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        2.612  -0.782   0.358  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        3.927  -0.805   0.471  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.467  -2.065   0.424  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.858   0.308   0.632  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.244   0.112   0.727  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.111   1.198   0.879  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.603   2.494   0.939  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.229   2.707   0.847  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.364   1.621   0.695  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.652   2.393  -0.720  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.158   2.149   0.714  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.029   0.915   0.847  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -6.282   0.743   0.283  0.00  0.00    +0.049 A 
ATOM     26  S   LIG    1       -6.966  -0.785   0.627  0.00  0.00    -0.105 S 
ATOM     27  C   LIG    1       -5.598  -1.252   1.536  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1       -4.642  -0.262   1.574  0.00  0.00    +0.012 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -4.877   3.375   1.248  0.00  0.00    +0.313 C 
ATOM     30  O   LIG    1       -4.801   3.809   2.388  0.00  0.00    -0.250 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.692   3.979   0.358  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -6.102   4.705   0.875  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10