REMARK  Name = BDB011169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.520   1.010   0.644  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1        1.185  -0.342   0.500  0.00  0.00    +0.337 A 
ATOM      3  O   LIG    1        2.001  -1.266   0.558  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1       -0.198  -0.631   0.368  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -1.151   0.434   0.305  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.779   1.604   0.943  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -1.711   2.596   1.143  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.974   2.512   0.685  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1       -3.329   1.458  -0.080  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -4.614   1.421  -0.662  0.00  0.00    +0.146 A 
ATOM     11  C   LIG    1       -4.985   0.391  -1.531  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.075  -0.604  -1.851  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.810  -0.591  -1.271  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.422   0.395  -0.335  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        0.613   1.795   1.345  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        0.839   2.611   2.232  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        5.125   1.125  -0.564  0.00  0.00    -0.046 A 
ATOM     18  C   LIG    1        3.810   0.689  -0.302  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.886   1.463   0.429  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.329   2.733   0.837  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.635   3.177   0.591  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.533   2.373  -0.098  0.00  0.00    +0.004 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.797  -0.738  -0.394  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        6.084   0.238  -1.318  0.00  0.00    +0.032 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   4  25
ATOM     25  C   LIG    1       -0.567  -2.018   0.702  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -1.907  -2.340   1.379  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -2.051  -3.838   1.140  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -1.556  -4.019  -0.288  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -0.394  -3.037  -0.437  0.00  0.00    +0.025 C 
ENDBRANCH   4  25
BRANCH  10  30
ATOM     30  O   LIG    1       -5.447   2.469  -0.329  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -6.760   2.478  -0.867  0.00  0.00    +0.277 C 
ENDBRANCH  10  30
TORSDOF 4