REMARK  Name = BDB060974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.550   0.435   1.748  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.834  -0.335   0.502  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        0.184  -0.716  -0.486  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        1.512  -0.510  -0.511  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -0.514  -1.437  -1.564  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -1.867  -1.465  -1.197  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -2.807  -2.081  -2.014  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.376  -2.672  -3.204  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.021  -2.643  -3.567  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.078  -2.022  -2.744  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -2.046  -0.773   0.091  0.00  0.00    -0.026 C 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.327   0.181   0.489  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        2.552   1.559   0.382  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.345   2.227   1.325  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        3.547   3.710   1.230  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        3.897   1.501   2.387  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.682   0.126   2.492  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.902  -0.534   1.543  0.00  0.00    +0.008 A 
ENDBRANCH   4  12
BRANCH  11  19
ATOM     19  C   LIG    1       -3.379  -0.658   0.752  0.00  0.00    +0.156 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.208   0.451   0.140  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1       -3.823   1.505  -0.337  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.532   0.194   0.216  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -5.942   0.990  -0.183  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  11  19
TORSDOF 4