REMARK  Name = BDB050382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.404  -1.190  -1.052  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.655  -1.673  -1.885  0.00  0.00    -0.491 OA
BRANCH   2  11
ATOM      3  C   LIG    1        6.277   0.791  -0.058  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1        5.244   1.282   0.878  0.00  0.00    +0.351 A 
ATOM      5  O   LIG    1        5.502   1.968   1.860  0.00  0.00    -0.244 OA
ATOM      6  O   LIG    1        3.930   0.897   0.610  0.00  0.00    -0.421 OA
ATOM      7  C   LIG    1        3.611   0.011  -0.437  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        4.609  -0.486  -1.268  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.253  -1.369  -2.286  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.913  -1.736  -2.451  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.917  -1.228  -1.607  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        2.271  -0.345  -0.590  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        5.980  -0.056  -1.056  0.00  0.00    +0.033 A 
BRANCH   3  14
ATOM     14  C   LIG    1        7.692   1.196   0.056  0.00  0.00    +0.346 C 
ATOM     15  O   LIG    1        8.632   0.462  -0.222  0.00  0.00    -0.245 OA
BRANCH  14  17
ATOM     16  C   LIG    1        9.131   2.969   0.559  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        7.791   2.495   0.425  0.00  0.00    -0.464 OA
ENDBRANCH  14  17
ENDBRANCH   3  14
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.711  -1.804  -1.544  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.863  -1.433  -0.685  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -3.636  -2.221   0.140  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -3.658  -3.651   0.494  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -4.580  -1.421   0.719  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -4.327  -0.173   0.213  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -3.309  -0.132  -0.626  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.196   0.911   0.663  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -6.243   0.694   1.572  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -7.053   1.765   1.978  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -6.832   3.058   1.486  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -5.794   3.277   0.583  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.985   2.212   0.177  0.00  0.00    +0.013 A 
BRANCH  27  31
ATOM     31  N   LIG    1       -8.147   1.529   2.929  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1       -8.844   2.499   3.259  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1       -8.309   0.373   3.346  0.00  0.00    -0.126 OA
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8