REMARK  Name = BDB007567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117  -1.270  -1.135  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.281   0.017  -0.662  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.091   0.233   0.254  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.808  -1.748  -2.028  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.013  -2.328   0.783  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        2.033  -1.519   0.180  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.935  -2.094  -0.475  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        0.822  -3.488  -0.536  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.782  -4.299   0.070  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.867  -3.722   0.731  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        4.188  -1.710   1.516  0.00  0.00    +0.119 C 
BRANCH  11  15
ATOM     12  N   LIG    1        7.761  -0.005   0.274  0.00  0.00    -0.300 NA
ATOM     13  C   LIG    1        6.822   0.921   0.925  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1        5.711   0.160   1.679  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.830  -0.613   0.776  0.00  0.00    -0.296 NA
ATOM     16  C   LIG    1        5.566  -1.083  -0.418  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        7.096  -1.215  -0.237  0.00  0.00    +0.100 C 
BRANCH  12  19
ATOM     18  C   LIG    1        8.018   1.173  -1.965  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        8.658   0.647  -0.682  0.00  0.00    +0.081 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.412   0.824  -1.091  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.627   0.615  -0.166  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.251   1.080   1.147  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.263   2.052   1.132  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.856   1.391  -0.706  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.168   0.975  -0.166  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.242   1.726  -0.851  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.627   1.493  -0.288  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.805   0.970   1.002  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -9.098   0.792   1.512  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1      -10.210   1.157   0.754  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1      -10.039   1.696  -0.519  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.607   0.538   1.804  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.754   1.866  -1.037  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.291   1.140   1.289  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9