REMARK  Name = BDB051274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.800   0.905   3.289  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.717   0.686   2.077  0.00  0.00    +0.267 C 
ATOM      3  N   LIG    1        0.480   0.783   1.423  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.718   0.992   2.235  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -1.866   0.117   1.742  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -2.236   0.397   0.269  0.00  0.00    +0.006 C 
ATOM      7  C   LIG    1       -1.106   1.145  -0.465  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        0.281   0.675  -0.024  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        2.948   0.309   1.337  0.00  0.00    +0.150 A 
ATOM     10  N   LIG    1        3.017  -0.006   0.027  0.00  0.00    -0.160 NA
ATOM     11  N   LIG    1        4.320  -0.276  -0.191  0.00  0.00    -0.215 N 
ATOM     12  C   LIG    1        5.087  -0.171   0.940  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        6.440  -0.422   0.922  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        7.003  -0.353   1.762  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        7.075  -0.794  -0.247  0.00  0.00    +0.259 A 
ATOM     16  C   LIG    1        6.237  -0.897  -1.482  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        6.824  -1.263  -2.697  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.035  -1.362  -3.848  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.664  -1.091  -3.792  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.066  -0.723  -2.584  0.00  0.00    +0.028 A 
ATOM     21  O   LIG    1        8.278  -1.026  -0.274  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        4.859  -0.633  -1.437  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1        4.240   0.206   1.945  0.00  0.00    +0.081 A 
ENDBRANCH   2   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.556   1.186   0.121  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.720   0.567   0.773  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1       -5.909   1.446   0.739  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -6.964   1.008  -0.287  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -7.462  -0.314  -0.044  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -6.486  -1.182   0.557  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -5.039  -0.773   0.233  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3