REMARK  Name = BDB054315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.470   1.446   1.309  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -0.526   0.982   2.215  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1       -0.697   0.738   3.396  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1        0.748   0.829   1.460  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.961   0.419   1.958  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        2.891   0.386   1.067  0.00  0.00    +0.159 A 
ATOM      7  N   LIG    1        2.697   0.721  -0.265  0.00  0.00    -0.200 N 
ATOM      8  C   LIG    1        1.496   1.100  -0.823  0.00  0.00    +0.278 A 
ATOM      9  O   LIG    1        1.276   1.344  -2.002  0.00  0.00    -0.265 OA
ATOM     10  N   LIG    1        3.897   0.612  -0.957  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        3.832   0.057  -1.810  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1        4.812   0.103  -0.038  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1        4.302  -0.014   1.202  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        0.449   1.157   0.198  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -0.953   1.539  -0.035  0.00  0.00    +0.151 C 
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1        6.147  -0.296  -0.324  0.00  0.00    +0.152 A 
ATOM     17  O   LIG    1        6.966  -0.942   0.581  0.00  0.00    -0.461 OA
ATOM     18  C   LIG    1        8.161  -1.178  -0.010  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        8.161  -0.702  -1.296  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        6.879  -0.139  -1.498  0.00  0.00    +0.051 A 
ENDBRANCH  12  16
BRANCH   1  21
ATOM     21  C   LIG    1       -2.872   1.623   1.621  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -5.277  -0.522  -0.431  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -4.516   0.562   0.017  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -3.706   0.456   1.158  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -3.664  -0.763   1.846  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.421  -1.847   1.404  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.226  -1.728   0.268  0.00  0.00    +0.045 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.825  -1.338  -2.039  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -6.016  -0.273  -1.554  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4