REMARK  Name = BDB012838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.146   0.381  -3.894  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        2.087   0.208  -2.406  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        0.873  -0.021  -1.857  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        0.791  -0.174  -0.515  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.910  -0.092   0.309  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.163   0.139  -0.263  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        3.248   0.293  -1.647  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.572  -0.410   0.076  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -1.487   0.810  -0.015  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -2.832   0.261   0.107  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.925   1.114   0.074  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -3.772   2.328  -0.042  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.825  -1.172  -0.167  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.407  -1.479  -0.638  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -5.239   0.530   0.179  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -5.596  -0.512   0.985  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -5.008  -1.020   1.636  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -6.886  -0.868   0.891  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -7.408   0.034   0.050  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -6.421   0.938  -0.407  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -8.867   0.018  -0.306  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -9.263  -1.276  -1.021  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -9.754   0.249   0.920  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  C   LIG    1        4.344   0.226   0.578  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.616  -0.160   0.208  0.00  0.00    +0.123 A 
ATOM     26  N   LIG    1        6.450   0.064   1.287  0.00  0.00    -0.239 N 
ATOM     27  N   LIG    1        5.758   0.575   2.339  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        4.502   0.668   1.905  0.00  0.00    +0.143 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.849  -0.180   1.380  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        8.522   0.118   2.576  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        9.895  -0.112   2.690  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       10.605  -0.640   1.615  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.946  -0.938   0.423  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        8.571  -0.711   0.302  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH   6  24
TORSDOF 5