REMARK  Name = BDB054468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.644  -2.314  -2.031  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -2.672  -1.588  -1.241  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1       -2.961  -0.569  -0.351  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -1.743  -0.193   0.203  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -0.717  -0.954  -0.404  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -1.319  -1.801  -1.297  0.00  0.00    +0.109 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.303  -0.105  -0.059  0.00  0.00    +0.264 C 
ATOM      8  N   LIG    1       -4.531   1.258  -0.014  0.00  0.00    -0.285 N 
ATOM      9  C   LIG    1       -5.842   1.806   0.359  0.00  0.00    +0.162 C 
ATOM     10  C   LIG    1       -5.549   3.281   0.644  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1       -4.407   3.599  -0.316  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -3.578   2.324  -0.290  0.00  0.00    +0.109 C 
ATOM     13  O   LIG    1       -5.235  -0.897   0.097  0.00  0.00    -0.268 OA
BRANCH   9  14
ATOM     14  C   LIG    1       -6.867   1.644  -0.787  0.00  0.00    +0.231 C 
ATOM     15  O   LIG    1       -7.203   2.538  -1.557  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1       -7.393   0.388  -0.918  0.00  0.00    -0.328 N 
ATOM     17  H   LIG    1       -7.947   0.214  -1.745  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -6.862  -0.396  -0.536  0.00  0.00    +0.145 HD
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   5  19
ATOM     19  N   LIG    1        0.591  -0.835  -0.109  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        0.904  -0.179   0.595  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.732  -1.484  -0.594  0.00  0.00    +0.221 A 
ATOM     22  N   LIG    1        2.880  -1.076  -0.021  0.00  0.00    -0.195 NA
ATOM     23  C   LIG    1        3.967  -1.706  -0.496  0.00  0.00    +0.164 A 
ATOM     24  C   LIG    1        3.987  -2.681  -1.473  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        5.342  -3.021  -1.618  0.00  0.00    +0.146 A 
ATOM     26  N   LIG    1        6.138  -2.322  -0.801  0.00  0.00    -0.177 NA
ATOM     27  C   LIG    1        2.762  -3.039  -2.008  0.00  0.00    +0.127 A 
ATOM     28  N   LIG    1        5.275  -1.522  -0.122  0.00  0.00    -0.243 N 
ATOM     29  N   LIG    1        1.642  -2.428  -1.557  0.00  0.00    -0.222 NA
BRANCH  28  30
ATOM     30  C   LIG    1        5.792  -0.609   0.871  0.00  0.00    +0.110 C 
ATOM     31  C   LIG    1        5.517   0.882   0.581  0.00  0.00    +0.030 C 
ATOM     32  C   LIG    1        5.500   1.547   1.930  0.00  0.00    -0.006 C 
ATOM     33  C   LIG    1        5.348   0.495   2.978  0.00  0.00    -0.006 C 
ATOM     34  C   LIG    1        6.598   1.336   2.942  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        5.266  -0.847   2.303  0.00  0.00    +0.030 C 
ENDBRANCH  28  30
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5