REMARK  Name = BDB050260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.778   1.820   0.255  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.315  -0.269   1.032  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        4.304   1.088   0.691  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.096   1.744   0.442  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.882   1.060   0.526  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.886  -0.293   0.865  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.095  -0.952   1.116  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.620  -0.991   1.283  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.282  -1.561   0.021  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.385  -2.609  -0.639  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        5.019  -3.646  -0.107  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.041  -2.264  -1.906  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        5.431  -1.375  -2.085  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.567  -0.536  -0.954  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.939  -0.656  -1.433  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.822   0.116  -0.753  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.492   1.161   0.300  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.575   2.197  -0.052  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.975   1.749  -0.074  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.433   1.204   1.209  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -4.962   1.024   1.206  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -5.450   0.373  -0.062  0.00  0.00    -0.040 C 
ATOM     23  C   LIG    1       -4.660   0.279  -1.145  0.00  0.00    -0.007 C 
ATOM     24  C   LIG    1       -3.259   0.827  -1.181  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.813  -0.178  -0.072  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1       -7.131  -1.447   0.442  0.00  0.00    +0.048 A 
ATOM     27 CL   LIG    1       -5.930  -2.481   1.136  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -8.447  -1.919   0.399  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -9.456  -1.132  -0.161  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -9.144   0.124  -0.678  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1      -10.386   1.092  -1.370  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -7.835   0.602  -0.638  0.00  0.00    +0.029 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11