REMARK  Name = BDB065212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.842  -0.729   0.406  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.921  -0.920   1.434  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.447  -0.955   1.153  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.908  -0.815  -0.164  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.033  -0.656  -1.193  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.402  -0.621  -0.911  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.348  -0.853  -0.464  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        3.159   0.319  -0.460  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        4.540   0.198  -0.761  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        5.361   1.339  -0.764  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.841   2.599  -0.473  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.492   2.736  -0.176  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.084  -1.061  -1.056  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.287  -2.201  -1.058  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.663   1.612  -0.169  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.931  -2.097  -0.764  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -3.164  -0.744   0.757  0.00  0.00    -0.478 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.931   0.366   0.274  0.00  0.00    +0.281 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.092  -1.096  -1.460  0.00  0.00    +0.008 C 
ATOM     20  C   LIG    1       -5.266  -0.175  -0.261  0.00  0.00    +0.053 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -4.199   1.353   1.415  0.00  0.00    +0.346 C 
ATOM     22  O   LIG    1       -5.269   1.870   1.702  0.00  0.00    -0.247 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.092   1.693   2.109  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -3.418   2.316   2.790  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6