REMARK  Name = BDB003485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.076  -2.356  -0.398  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -2.878  -1.114   0.224  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.712  -0.846   0.956  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -0.727  -1.839   1.034  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -0.924  -3.088   0.443  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.094  -3.344  -0.273  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.352  -2.627  -1.157  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.486  -3.047  -0.217  0.00  0.00    +0.005 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.817  -3.271  -0.944  0.00  0.00    +0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -7.228  -0.850  -1.695  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -7.756  -2.060  -0.942  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  12
ATOM     12  C   LIG    1       -1.534   0.506   1.604  0.00  0.00    +0.039 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.878   1.505   0.645  0.00  0.00    +0.005 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.659   2.861   1.319  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.014   3.884   0.401  0.00  0.00    -0.003 C 
ATOM     16  C   LIG    1       -0.878   4.350  -0.738  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
BRANCH   4  17
ATOM     17  O   LIG    1        0.406  -1.592   1.767  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.571  -1.582   0.940  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.703  -0.982   1.772  0.00  0.00    +0.043 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.953  -0.658   0.958  0.00  0.00    +0.025 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.796   0.622   0.142  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.071   0.919  -0.553  0.00  0.00    -0.353 N 
ATOM     23  C   LIG    1        6.020   1.650   0.078  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1        7.221   1.960  -0.558  0.00  0.00    -0.034 A 
ATOM     25  C   LIG    1        8.282   2.742   0.152  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1        7.438   1.480  -1.850  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        6.454   0.732  -2.485  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        5.270   0.465  -1.813  0.00  0.00    +0.085 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14