REMARK  Name = BDB047972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.015  -0.458  -0.662  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1        0.573  -1.863  -0.811  0.00  0.00    +0.201 C 
ATOM      3  O   LIG    1        1.225  -2.820  -1.178  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -0.838  -1.892  -0.460  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.199  -0.596  -0.133  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -2.501  -0.327   0.252  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.423  -1.386   0.290  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.037  -2.696  -0.051  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -1.720  -2.956  -0.433  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -0.037   0.288  -0.258  0.00  0.00    +0.008 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        0.017   1.726   0.021  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -0.614   2.632  -0.841  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.579   4.001  -0.570  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.084   4.472   0.562  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        0.713   3.576   1.425  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.680   2.207   1.157  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1        2.376   0.019  -0.919  0.00  0.00    +0.344 C 
ATOM     18  O   LIG    1        2.645   1.056  -1.505  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.267  -0.841  -0.366  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.104   0.427   0.567  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        4.650  -0.505  -0.540  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  22
ATOM     22  O   LIG    1       -3.852  -3.795  -0.047  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -5.209  -3.594   0.330  0.00  0.00    +0.277 C 
ENDBRANCH   8  22
TORSDOF 5