REMARK  Name = BDB009169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.603   0.698   1.313  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.739   0.741   0.210  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.132   1.828   0.023  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.102   2.884   0.946  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.746   2.838   2.054  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.591   1.745   2.241  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.906  -0.702   2.688  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.530  -0.444   1.550  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.944  -1.141   0.435  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.785  -0.742  -0.479  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.946  -2.177   0.528  0.00  0.00    +0.143 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.259  -1.592   0.153  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        6.106  -0.865   0.967  0.00  0.00    +0.200 A 
ATOM     14  O   LIG    1        7.221  -0.488   0.292  0.00  0.00    -0.471 OA
ATOM     15  C   LIG    1        7.101  -0.973  -0.969  0.00  0.00    +0.195 A 
ATOM     16  C   LIG    1        5.917  -1.658  -1.109  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -1.052   1.901  -1.176  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.795   0.600  -1.467  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.050   0.282  -0.717  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.572   1.209   0.345  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -4.672   0.586   1.211  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.667  -0.196   0.362  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.966  -1.310  -0.416  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.674  -0.864  -1.042  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.095  -1.759  -2.075  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -3.630  -2.817  -2.389  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -1.930  -1.333  -2.652  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -1.525  -1.927  -3.368  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -1.277  -0.173  -2.375  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5