REMARK  Name = BDB051266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.418   2.501  -0.667  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.693   1.302  -0.713  0.00  0.00    +0.267 C 
ATOM      3  N   LIG    1       -0.304   0.316  -0.814  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.689   0.789  -0.850  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.716  -0.299  -1.226  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1       -2.032  -1.441  -1.992  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1       -0.848  -2.050  -1.240  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1       -0.115  -1.052  -0.347  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        2.093   0.847  -0.738  0.00  0.00    +0.150 A 
ATOM     10  N   LIG    1        2.968   1.186   0.229  0.00  0.00    -0.160 NA
ATOM     11  N   LIG    1        4.129   0.626  -0.161  0.00  0.00    -0.215 N 
ATOM     12  C   LIG    1        4.016  -0.076  -1.337  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        5.092  -0.729  -1.891  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        5.013  -1.240  -2.762  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        6.330  -0.701  -1.276  0.00  0.00    +0.259 A 
ATOM     16  C   LIG    1        6.447   0.064   0.002  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        7.674   0.129   0.669  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        7.778   0.846   1.864  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.662   1.500   2.397  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.432   1.442   1.740  0.00  0.00    +0.028 A 
ATOM     21  O   LIG    1        7.293  -1.284  -1.760  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.335   0.723   0.546  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1        2.715   0.051  -1.745  0.00  0.00    +0.081 A 
ENDBRANCH   2   9
BRANCH   5  24
ATOM     24  C   LIG    1       -3.504  -0.839  -0.008  0.00  0.00    +0.089 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.256   0.186   0.731  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1       -5.303   0.828  -0.098  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -6.439   1.414   0.754  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -7.154   0.405   1.481  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -6.332  -0.710   1.851  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -4.844  -0.351   1.979  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 3