REMARK  Name = BDB011163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.019   0.784  -0.856  0.00  0.00    -0.249 N 
ATOM      2  C   LIG    1        1.423  -0.463  -0.938  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1        2.066  -1.455  -1.292  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        0.079  -0.552  -0.539  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.695   0.634  -0.296  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        0.011   1.790   0.010  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -0.665   2.901   0.467  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.005   2.948   0.581  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1       -2.738   1.909   0.134  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -4.145   2.009   0.131  0.00  0.00    +0.146 A 
ATOM     11  C   LIG    1       -4.940   1.000  -0.421  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.342  -0.107  -1.000  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.955  -0.226  -0.985  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.118   0.732  -0.367  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.453   1.861  -0.203  0.00  0.00    +0.266 A 
ATOM     16  O   LIG    1        2.080   2.854   0.156  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -0.289  -1.881  -0.021  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.257  -2.031   1.161  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -1.658  -3.499   1.079  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -1.812  -3.746  -0.416  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -0.708  -2.919  -1.076  0.00  0.00    +0.025 C 
ENDBRANCH   4  17
BRANCH  10  22
ATOM     22  O   LIG    1       -4.661   3.164   0.680  0.00  0.00    -0.493 OA
ATOM     23  C   LIG    1       -6.073   3.306   0.737  0.00  0.00    +0.277 C 
ENDBRANCH  10  22
BRANCH   1  24
ATOM     24  C   LIG    1        3.447   0.858  -1.143  0.00  0.00    +0.250 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.253   0.432   0.077  0.00  0.00    +0.327 C 
ATOM     26  O   LIG    1        3.789   0.046   1.144  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.586   0.540  -0.200  0.00  0.00    -0.464 OA
BRANCH  27  29
ATOM     28  C   LIG    1        7.880   0.337   0.437  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1        6.441   0.164   0.886  0.00  0.00    +0.229 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6