REMARK  Name = BDB065217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.780   0.270  -2.209  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.703  -0.565  -1.569  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.682  -0.028  -0.732  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        2.743   1.345  -0.527  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        3.787   1.872   0.358  0.00  0.00    +0.197 A 
ATOM      6  C   LIG    1        4.697   0.895   0.973  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1        4.530  -0.408   0.704  0.00  0.00    +0.139 A 
ATOM      8  O   LIG    1        3.889   3.074   0.575  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1        1.820   2.182  -1.159  0.00  0.00    +0.135 A 
ATOM     10  O   LIG    1        3.553  -0.910  -0.143  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1        0.837   1.648  -1.995  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        5.415  -1.437   1.282  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        5.888  -2.486   0.479  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.720  -3.474   1.012  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.084  -3.431   2.355  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.614  -2.402   3.168  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.783  -1.412   2.637  0.00  0.00    +0.011 A 
ENDBRANCH   7  12
BRANCH   9  18
ATOM     18  O   LIG    1        1.819   3.541  -1.000  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        2.553   3.784  -0.391  0.00  0.00    +0.292 HD
ENDBRANCH   9  18
BRANCH   1  20
ATOM     20  O   LIG    1       -0.133  -0.389  -2.987  0.00  0.00    -0.483 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.981   0.388  -3.827  0.00  0.00    +0.324 C 
BRANCH  21  24
ATOM     22  N   LIG    1       -2.556   0.244  -1.983  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1       -1.895  -0.480  -1.723  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -2.242   0.933  -3.143  0.00  0.00    +0.255 C 
ATOM     25  O   LIG    1       -2.874   1.858  -3.642  0.00  0.00    -0.272 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -5.748   0.774   0.734  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1       -4.761  -0.206   0.951  0.00  0.00    +0.163 A 
ATOM     28  C   LIG    1       -3.717  -0.354   0.028  0.00  0.00    +0.072 A 
ATOM     29  C   LIG    1       -3.638   0.462  -1.109  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -4.619   1.429  -1.315  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -5.667   1.585  -0.401  0.00  0.00    +0.051 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -7.738   1.850   1.500  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -6.738   0.857   1.680  0.00  0.00    -0.491 OA
ENDBRANCH  26  33
BRANCH  27  34
ATOM     34  O   LIG    1       -4.908  -0.966   2.086  0.00  0.00    -0.491 OA
ATOM     35  C   LIG    1       -3.917  -1.944   2.364  0.00  0.00    +0.277 C 
ENDBRANCH  27  34
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 8