REMARK  Name = BDB060973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.448   0.960  -2.164  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.952   0.249  -0.950  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        0.524   0.009  -0.693  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1       -0.466   0.389  -1.521  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        0.434  -0.697   0.598  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        1.760  -0.843   1.044  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1        2.041  -1.474   2.250  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.979  -1.964   3.013  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.342  -1.821   2.568  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.621  -1.185   1.354  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.688  -0.248   0.067  0.00  0.00    -0.026 C 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.902   0.190  -1.327  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -2.656   1.145  -0.634  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.031   0.961  -0.436  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -4.839   2.000   0.282  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -4.648  -0.178  -0.967  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.900  -1.131  -1.660  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.529  -0.949  -1.840  0.00  0.00    +0.008 A 
ENDBRANCH   4  12
BRANCH  11  19
ATOM     19  C   LIG    1        4.168  -0.267   0.253  0.00  0.00    +0.156 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.610   0.823   1.204  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1        4.230   1.982   1.240  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.577   0.405   2.050  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        5.773   1.204   2.583  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  11  19
TORSDOF 4