REMARK  Name = BDB047657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.322  -0.066  -0.099  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        3.087   0.599  -0.044  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.892  -0.151  -0.062  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.981  -1.541  -0.136  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        0.696  -2.033  -0.142  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        0.456  -3.013  -0.189  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.221  -1.013  -0.070  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -1.620  -1.043  -0.046  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -2.575  -2.202  -0.125  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -3.871  -1.556   0.385  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -3.802  -0.068   0.008  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.327   0.166   0.026  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -1.634   1.349   0.059  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -2.128   2.730   0.112  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -3.290   3.084   0.132  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -1.020   3.547   0.133  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -1.113   4.553   0.165  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.222   2.818   0.092  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -0.231   1.389   0.042  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        3.202  -2.224  -0.191  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        0.502   0.188  -0.023  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.373  -1.460  -0.171  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  24
ATOM     23  N   LIG    1        6.519   1.314  -0.064  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        5.537   0.694  -0.080  0.00  0.00    +0.099 C 
ENDBRANCH   1  24
TORSDOF 1