REMARK  Name = BDB029566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.029   0.180   2.481  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.578   0.945   1.228  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1        0.446   0.065   0.061  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.564  -0.322  -0.680  0.00  0.00    +0.247 C 
ATOM      5  O   LIG    1        1.540  -1.153  -1.583  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.845   0.384  -0.382  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        2.845   1.559   0.383  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1        4.053   2.225   0.609  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        5.246   1.714   0.088  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        5.255   0.553  -0.694  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.044  -0.117  -0.905  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        1.545   2.098   0.913  0.00  0.00    +0.058 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        6.448  -0.023  -1.184  0.00  0.00    -0.337 N 
ATOM     14  H   LIG    1        6.267  -0.598  -2.005  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        7.742   0.605  -1.193  0.00  0.00    +0.122 C 
ATOM     16  C   LIG    1        8.868  -0.313  -1.693  0.00  0.00    +0.184 C 
ATOM     17  O   LIG    1        9.664  -0.036  -0.510  0.00  0.00    -0.376 OA
ATOM     18  C   LIG    1        8.494   0.525   0.144  0.00  0.00    +0.184 C 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  19
ATOM     19  C   LIG    1       -0.875  -0.477  -0.294  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.456  -1.490   0.711  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.545  -2.582   0.897  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.903  -3.156   1.594  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.811  -2.050   0.218  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.874  -1.042   0.071  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.967  -1.586  -0.764  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.178  -0.681  -0.853  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.407   0.317   0.109  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.552   1.120   0.022  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.478   0.918  -1.001  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.264  -0.083  -1.946  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.390   0.561   1.192  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.122  -0.881  -1.872  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.422  -0.617   1.370  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7