REMARK  Name = BDB002998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.304   1.688  -1.757  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.478   0.365  -1.300  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.406  -0.496  -0.932  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.110   0.032  -1.052  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        0.085   1.359  -1.458  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.992   2.172  -1.805  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.496   2.599  -2.115  0.00  0.00    -0.010 C 
ATOM      8  C   LIG    1       -3.746   3.522  -0.898  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -4.809   1.822  -2.380  0.00  0.00    +0.016 C 
BRANCH   7  11
ATOM     10  C   LIG    1       -2.967   2.767  -4.665  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -3.220   3.510  -3.356  0.00  0.00    +0.007 C 
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  12
ATOM     12  C   LIG    1       -1.767  -1.910  -0.388  0.00  0.00    -0.007 C 
ATOM     13  C   LIG    1       -0.574  -2.884  -0.247  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -2.753  -2.607  -1.366  0.00  0.00    +0.016 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -2.433  -1.704   1.015  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -2.854  -2.969   1.755  0.00  0.00    +0.005 C 
ENDBRANCH  12  15
ENDBRANCH   3  12
BRANCH   4  17
ATOM     17  O   LIG    1        0.986  -0.696  -0.672  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.920  -0.878  -1.745  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.983  -1.890  -1.304  0.00  0.00    +0.043 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.446  -1.754   0.153  0.00  0.00    +0.025 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.863  -0.332   0.517  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.317  -0.280   1.936  0.00  0.00    -0.350 N 
ATOM     23  C   LIG    1        3.456   0.023   2.962  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        1.998   0.275   2.670  0.00  0.00    +0.064 C 
ATOM     25  C   LIG    1        3.975   0.127   4.280  0.00  0.00    -0.031 A 
ATOM     26  C   LIG    1        3.100   0.488   5.459  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        5.335  -0.108   4.505  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        6.167  -0.429   3.447  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1        5.633  -0.505   2.173  0.00  0.00    +0.086 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 10