REMARK  Name = BDB048851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.124   0.975   0.772  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        1.600   2.367   0.858  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.564   2.229   1.973  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.052   0.772   1.909  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1        1.284   0.107   1.354  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  14
ATOM      6  O   LIG    1        5.696   2.217  -1.970  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        5.178   1.334  -1.297  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        5.775  -0.004  -1.162  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        5.089  -0.932  -0.377  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        5.632  -2.211  -0.232  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        6.834  -2.550  -0.860  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        7.507  -1.609  -1.642  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        3.880  -0.629   0.269  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        3.388   0.560   0.128  0.00  0.00    +0.137 A 
ATOM     15  C   LIG    1        6.978  -0.329  -1.797  0.00  0.00    +0.015 A 
ATOM     16  N   LIG    1        4.001   1.530  -0.621  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        3.591   2.443  -0.739  0.00  0.00    +0.170 HD
ENDBRANCH   1  14
BRANCH   4  18
ATOM     18  N   LIG    1       -1.119   0.563   1.036  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1       -1.504  -0.862   0.970  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -2.624  -1.090  -0.060  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -3.774  -0.136   0.130  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1       -3.590   0.983   0.855  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -2.278   1.358   1.488  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.072  -0.460  -0.497  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -6.276  -0.292   0.203  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.501  -0.616  -0.387  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.539  -1.116  -1.686  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.353  -1.294  -2.393  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.128  -0.971  -1.801  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH   4  18
TORSDOF 3