REMARK  Name = BDB055605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.067  -0.802  -0.264  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.369  -0.004  -1.185  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.017   0.287  -0.997  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.651  -0.237   0.104  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.022  -1.017   1.041  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.375  -1.306   0.850  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.530  -0.417   0.190  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.489  -1.113  -0.465  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -3.823  -2.157  -1.349  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.151  -2.518  -1.578  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.172  -1.840  -0.925  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.865  -0.801  -0.048  0.00  0.00    +0.004 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.280   0.733   1.147  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.965   2.599  -0.565  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.761   2.094   0.629  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  O   LIG    1        1.967   0.076   0.297  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.837  -0.967  -0.168  0.00  0.00    +0.285 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.365  -0.695  -1.577  0.00  0.00    +0.346 C 
ATOM     19  O   LIG    1        3.090   0.240  -2.312  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.186  -1.673  -2.027  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        4.429  -1.361  -2.925  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
BRANCH  17  22
ATOM     22  C   LIG    1        3.983  -1.142   0.843  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.990  -0.012   0.882  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        6.273  -0.188   0.344  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.203   0.853   0.373  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.861   2.079   0.940  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.590   2.264   1.479  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.659   1.224   1.452  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 9