REMARK  Name = BDB053808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.270   0.526   0.167  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.268  -0.184   0.836  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.987   0.388   1.059  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.252   1.679   0.596  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -0.246   2.402  -0.054  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.009   1.824  -0.276  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.559   2.341   0.825  0.00  0.00    +0.186 C 
ATOM      8  O   LIG    1       -2.598   3.534   1.111  0.00  0.00    -0.287 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -3.828   1.575   0.718  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1       -4.012   0.527  -0.100  0.00  0.00    +0.011 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.283  -0.202  -0.217  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -6.526   0.443  -0.178  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -7.710  -0.286  -0.321  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.662  -1.664  -0.515  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.432  -2.315  -0.572  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.248  -1.587  -0.430  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1        2.447  -0.153   0.019  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        3.515   0.529  -0.636  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.733  -0.394  -0.684  0.00  0.00    +0.041 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.236  -0.766   0.718  0.00  0.00    +0.014 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.455  -1.681   0.673  0.00  0.00    +0.120 C 
BRANCH  21  23
ATOM     22  O   LIG    1        8.133  -1.018  -0.930  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1        7.691  -0.953   0.206  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1        8.259  -0.191   1.166  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        7.802  -0.233   2.027  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10