REMARK  Name = BDB056322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.941  -1.165  -0.298  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.966  -0.072  -0.758  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.395   0.922  -1.359  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.406  -0.246  -0.528  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.023  -1.549  -0.523  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.560  -2.647   0.230  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.267  -3.876   0.161  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.393  -4.039  -0.638  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.841  -2.972  -1.391  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.598  -2.669   1.198  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.163  -1.752  -1.332  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.630  -1.562   1.136  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.935   0.209   0.353  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.325  -0.700  -0.497  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.573  -0.575  -1.471  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.473   0.544   1.442  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.315   0.706  -0.147  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.378  -0.238   0.414  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.777   2.678  -0.037  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.472   2.116   0.251  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.250   2.199   1.247  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.217   0.955  -0.828  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.506   1.133  -0.025  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -3.761   1.377  -0.688  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -4.941   1.477   0.096  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -6.192   1.688  -0.508  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.313   1.822  -1.888  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.178   1.753  -2.679  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.871   1.373   1.486  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -3.650   1.203   2.127  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.928   1.539  -2.089  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.461   1.110   1.395  0.00  0.00    -0.045 A 
ATOM     33  C   LIG    1       -1.185   0.953   2.179  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5