REMARK  Name = BDB049969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.220   1.992   1.391  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.119   1.431   0.898  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.127   2.247   1.563  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.498   2.035   1.631  0.00  0.00    +0.267 C 
ATOM      5  O   LIG    1       -3.209   2.792   2.298  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.523   3.405   2.195  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.880   3.471   1.611  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.553   3.635  -1.784  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        3.949   2.470  -1.059  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        2.929   2.731  -0.209  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.365   1.698   0.458  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.810   0.387   0.300  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.864   0.121  -0.577  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.439   1.186  -1.270  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.353  -1.232  -0.778  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.338  -2.236   0.169  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        4.902  -3.330  -0.421  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        5.115  -4.627   0.175  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        5.285  -3.116  -1.692  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        4.954  -1.840  -1.906  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.109   0.899   0.902  0.00  0.00    +0.147 A 
ATOM     22  N   LIG    1       -2.458   0.055   0.083  0.00  0.00    -0.167 NA
ATOM     23  N   LIG    1       -3.397  -0.798  -0.370  0.00  0.00    -0.270 N 
ATOM     24  C   LIG    1       -2.978  -1.812  -1.309  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1       -4.652  -0.543   0.123  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -4.485   0.551   0.951  0.00  0.00    +0.058 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -5.922  -1.292  -0.176  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -5.968  -2.648   0.525  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -6.219  -1.414  -1.669  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4