REMARK  Name = BDB056323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.877   0.190   1.029  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.969   0.423  -0.170  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.222  -0.179  -1.226  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.115   1.294  -0.054  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.529   2.030   1.123  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.301   2.431   2.195  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.275   3.136   3.290  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.624   3.460   3.348  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.440   3.088   2.302  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.795   2.267   2.357  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.899   2.392   1.218  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.571   1.506   1.311  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.574  -1.528   1.613  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.842  -0.846   0.664  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.805  -1.173  -0.298  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.509  -1.243   2.806  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.445  -2.661   1.018  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.561  -3.884   0.781  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.563  -1.975   2.004  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.569  -3.036   1.900  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.016  -3.877   1.540  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -0.915   1.435  -1.290  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.035   0.420  -1.514  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -2.918   0.559  -2.628  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -3.969  -0.385  -2.816  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -4.836  -0.222  -3.921  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.691   0.826  -4.828  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.669   1.742  -4.655  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.119  -1.458  -1.900  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -5.208  -2.490  -2.045  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -3.233  -1.583  -0.825  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.797   1.608  -3.573  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -2.209  -0.662  -0.637  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5