REMARK  Name = BDB055604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.923  -0.723  -2.128  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.502  -1.747  -1.268  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.832  -1.838  -0.850  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.768  -0.906  -1.292  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        1.357   0.111  -2.157  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.027   0.202  -2.575  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.282   0.158  -1.884  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -2.324  -0.632  -2.560  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -2.727  -1.363  -3.693  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.045  -1.321  -4.151  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.985  -0.549  -3.480  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.608   0.183  -2.355  0.00  0.00    +0.004 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -2.950   0.966  -0.646  0.00  0.00    +0.036 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.246   0.184   0.639  0.00  0.00    +0.005 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.906   0.972   1.909  0.00  0.00    +0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.698   2.794   1.681  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.093   1.702   2.546  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  O   LIG    1        3.091  -0.856  -0.962  0.00  0.00    -0.477 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.652  -1.849  -0.103  0.00  0.00    +0.285 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.153  -1.993  -0.401  0.00  0.00    +0.346 C 
ATOM     21  O   LIG    1        5.801  -1.289  -1.161  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.732  -3.048   0.235  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        5.130  -3.598   0.768  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  C   LIG    1        3.413  -1.511   1.380  0.00  0.00    +0.091 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.053  -0.228   1.859  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1        3.410   1.001   1.657  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.998   2.189   2.093  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.235   2.161   2.733  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.885   0.946   2.936  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.298  -0.244   2.502  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 11