REMARK  Name = BDB006057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.283   3.144  -1.051  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.248   2.577  -0.720  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.249   1.161  -0.328  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.043   0.590   0.034  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        3.933  -0.750   0.424  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        2.703  -1.344   0.794  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        1.639  -0.584   0.757  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        1.692   0.744   0.389  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        0.842   1.288   0.374  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        5.098  -1.519   0.440  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        6.330  -0.956   0.076  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        2.827   1.407   0.013  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        2.826   2.660  -0.335  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        6.409   0.386  -0.308  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.026   3.216  -0.692  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        4.009   4.195  -0.961  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.280  -1.181   1.133  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.310  -1.907  -0.009  0.00  0.00    -0.291 NA
ATOM     19  C   LIG    1       -0.684  -1.056  -1.150  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -1.830  -0.071  -0.853  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -2.948  -0.712  -0.063  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1       -2.764  -1.916   0.512  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -1.478  -2.692   0.421  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.230   0.015   0.052  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -5.453  -0.651  -0.123  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.665   0.038  -0.032  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.672   1.405   0.232  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.468   2.083   0.402  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.255   1.393   0.309  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3