REMARK  Name = BDB000716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.695  -2.277  -1.230  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -0.627  -2.069  -1.350  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.573   0.029   0.950  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.420  -0.434   1.586  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.470  -1.184   0.886  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.658  -1.471  -0.469  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        2.821  -1.019  -1.101  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        3.772  -0.268  -0.398  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        5.585   1.281   1.134  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        4.418   0.749   1.749  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   2  11
ATOM     11  C   LIG    1       -1.405  -0.961  -0.780  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -2.521  -1.250   0.016  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -3.288  -0.215   0.553  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -2.944   1.115   0.283  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -1.843   1.415  -0.519  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -1.082   0.373  -1.051  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  O   LIG    1       -4.392  -0.364   1.350  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1       -4.775  -1.694   1.678  0.00  0.00    +0.277 C 
ENDBRANCH  13  17
BRANCH  15  19
ATOM     19  O   LIG    1       -1.415   2.670  -0.859  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1       -2.119   3.765  -0.290  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
ENDBRANCH   2  11
TORSDOF 5