REMARK  Name = BDB056326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.392   1.134   0.103  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.257   0.311  -0.543  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.515  -0.730  -1.160  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.058   0.747  -0.340  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1       -1.403   2.024   0.203  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -0.664   3.181  -0.121  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.006   4.414   0.458  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.089   4.515   1.328  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.848   3.388   1.618  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.436   3.142  -1.150  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.512   2.155   1.054  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.681   2.430  -0.648  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.609   0.502   1.059  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.591   0.304   0.158  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.603  -0.568  -0.374  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.635   1.439   1.852  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.754  -0.528   0.949  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.708  -0.064  -0.150  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.167  -2.928   0.743  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.172  -1.865   0.664  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.456  -2.049   1.371  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.133  -0.183  -0.707  0.00  0.00    +0.118 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.284  -1.338   0.293  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.431  -2.245  -0.076  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -3.244  -3.275  -1.008  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.307  -4.103  -1.368  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.566  -3.907  -0.805  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.764  -2.882   0.119  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.701  -2.053   0.482  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6