REMARK  Name = BDB046848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.833   2.391  -1.050  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.884   0.046   0.333  0.00  0.00    +0.146 A 
ATOM      3  C   LIG    1       -3.628   0.600   0.656  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -3.176   0.504   1.979  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.862   1.085   2.299  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -1.206   1.685   1.257  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -0.305   2.084   1.475  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -1.710   1.731  -0.013  0.00  0.00    +0.111 A 
ATOM      9  O   LIG    1       -1.378   1.032   3.424  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.935  -0.120   2.972  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -5.173  -0.662   2.643  0.00  0.00    +0.004 A 
ATOM     12  N   LIG    1       -2.851   1.229  -0.343  0.00  0.00    -0.230 NA
ATOM     13  C   LIG    1       -5.646  -0.580   1.330  0.00  0.00    +0.048 A 
BRANCH   2  15
ATOM     14  C   LIG    1       -6.520  -0.403  -1.353  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.275   0.168  -0.978  0.00  0.00    -0.493 OA
ENDBRANCH   2  15
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.374   1.516  -1.397  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.022   0.304  -2.260  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.015  -0.679  -2.594  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.180  -1.755  -1.611  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        1.972  -1.362  -0.354  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        3.174  -0.500  -0.672  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.306   0.051  -1.895  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.306  -0.129  -3.005  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.175  -0.278   0.394  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        3.776  -0.051   1.720  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        4.722   0.146   2.730  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.082   0.112   2.432  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.496  -0.122   1.124  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.550  -0.318   0.113  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6