REMARK  Name = BDB050818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.919   0.625   0.037  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -2.380   0.106  -1.171  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.123  -0.558  -1.137  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.609  -1.093  -2.340  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.289  -0.976  -3.551  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.504  -0.314  -3.591  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.417  -0.673   0.088  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -0.959  -0.140   1.258  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.040   0.221  -2.418  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.193   0.501   1.232  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -4.283   1.286   0.110  0.00  0.00    +0.079 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.458   0.295   0.027  0.00  0.00    +0.230 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.617  -0.419   1.385  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1       -6.444  -0.128   2.237  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.756  -1.452   1.563  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -4.116  -1.584   0.834  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  O   LIG    1       -6.598   1.062  -0.376  0.00  0.00    -0.365 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -8.850   1.178  -1.149  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -7.732   0.259  -0.699  0.00  0.00    +0.157 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  O   LIG    1        0.797  -1.317   0.033  0.00  0.00    -0.491 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.498  -1.538   1.262  0.00  0.00    +0.235 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.803  -2.272   0.959  0.00  0.00    +0.100 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.867  -1.353   0.472  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1        4.105  -0.867  -0.796  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.462  -1.023  -2.111  0.00  0.00    +0.088 C 
ATOM     26  O   LIG    1        5.196  -0.046  -0.732  0.00  0.00    -0.440 OA
ATOM     27  C   LIG    1        5.571  -0.078   0.587  0.00  0.00    +0.228 A 
ATOM     28  N   LIG    1        4.806  -0.844   1.342  0.00  0.00    -0.214 NA
BRANCH  27  29
ATOM     29  C   LIG    1        6.734   0.722   0.962  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        7.174   0.722   2.295  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        8.283   1.477   2.684  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.968   2.244   1.743  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.544   2.256   0.416  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.434   1.500   0.028  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 11