REMARK  Name = BDB056327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.890   0.706  -0.503  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.078  -0.383   0.234  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.524  -1.531   0.333  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.151   0.006   0.776  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.827   1.218   0.415  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.806   1.703  -0.913  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.480   2.894  -1.230  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.190   3.595  -0.254  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.222   3.118   1.050  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.155   0.919  -2.026  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.545   1.941   1.382  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.372   0.902  -1.926  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.079   0.538   0.605  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.299   0.311  -0.517  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.528  -0.522  -1.044  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.740   1.297   1.513  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.431  -0.217   0.596  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.876  -0.470   2.042  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.671  -0.072  -0.405  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.392   0.595  -0.188  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.542   1.482   0.305  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.813  -0.942   1.677  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.868  -1.774   0.979  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -4.224  -1.413   1.032  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.190  -2.182   0.380  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.813  -3.323  -0.325  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.470  -3.690  -0.388  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.499  -2.912   0.247  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5