REMARK  Name = BDB062383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.197  -0.122  -0.060  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1       -2.404  -1.482   0.010  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.334  -2.017   0.734  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.313  -3.408   0.972  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.344  -4.216   0.478  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.396  -3.670  -0.258  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -4.510  -4.550  -0.748  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.457  -0.936   1.083  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -3.445  -2.287  -0.488  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -1.038   0.215   0.584  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -3.067   0.841  -0.719  0.00  0.00    +0.124 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.197   1.315   0.194  0.00  0.00    +0.049 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.087   2.349  -0.493  0.00  0.00    +0.161 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.607   4.227  -0.554  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1       -4.821   3.682  -0.059  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  16
ATOM     16  C   LIG    1        0.812  -1.029   1.875  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.946  -0.503   1.111  0.00  0.00    -0.292 N 
ATOM     18  C   LIG    1        2.324   0.829   1.333  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        1.649   1.595   2.028  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.613   1.319   0.634  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        4.763   0.577   1.073  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1        5.952   1.038   0.422  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        6.192   2.531   0.685  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        5.049   3.359   0.262  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        4.941   3.280  -0.749  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        3.826   2.827   0.909  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1        2.769  -1.452   0.399  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        2.946  -1.375  -1.098  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        2.204  -2.526  -0.498  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 8