REMARK  Name = BDB056250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.243  -1.151  -1.809  0.00  0.00    -0.183 N 
ATOM      2  C   LIG    1        3.705  -1.334  -0.547  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        4.334  -1.869   0.365  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  O   LIG    1        3.580  -0.256  -2.676  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1        3.167  -0.870  -3.312  0.00  0.00    +0.242 HD
ENDBRANCH   1   4
BRANCH   1   6
ATOM      6  C   LIG    1        5.684  -1.180  -2.051  0.00  0.00    +0.151 C 
BRANCH   6   7
ATOM      7  C   LIG    1        6.389   0.118  -1.683  0.00  0.00    +0.142 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.702   0.166  -0.214  0.00  0.00    +0.308 C 
ATOM      9  O   LIG    1        7.666  -0.393   0.292  0.00  0.00    -0.251 OA
BRANCH   8  11
ATOM     10  C   LIG    1        5.956   0.919   1.868  0.00  0.00    +0.280 C 
ATOM     11  O   LIG    1        5.776   0.908   0.452  0.00  0.00    -0.468 OA
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  12
ATOM     12  C   LIG    1        2.266  -0.866  -0.382  0.00  0.00    +0.098 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.724  -1.151   1.020  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.322  -0.581   1.256  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.748  -1.227   0.373  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.178  -0.832   0.762  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.482   0.650   0.526  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.910   1.049   0.916  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.980   0.466  -0.014  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.417   0.853   0.388  0.00  0.00    -0.017 C 
ATOM     21  C   LIG    1       -6.673   2.357   0.278  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -7.421   0.096  -0.487  0.00  0.00    +0.007 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 14