REMARK  Name = BDB026814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.178   1.129   0.502  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.004   2.403   0.625  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.713   2.935  -0.465  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.458   4.108  -0.325  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.495   4.771   0.899  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.780   4.269   1.984  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.035   3.096   1.847  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.612  -0.156  -1.509  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.912   0.035  -0.325  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.966  -0.757   0.325  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.702  -1.852  -0.245  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.602  -2.307   0.720  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.483  -3.373   0.499  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.444  -3.998  -0.750  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.561  -3.572  -1.737  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.431  -1.522   1.834  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.961  -1.621   2.689  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.688  -2.504  -1.498  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.450  -0.592   1.612  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.138   1.464  -0.108  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.976   1.562  -1.115  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.129   0.406   0.115  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.444   0.752  -0.596  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.493  -0.308  -0.373  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        4.539  -1.448  -1.180  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        5.508  -2.406  -0.923  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        6.418  -2.307   0.070  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        6.355  -1.199   0.839  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        5.423  -0.188   0.662  0.00  0.00    +0.023 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7