REMARK  Name = BDB012786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.286  -0.456  -0.092  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        1.290  -0.549   1.071  0.00  0.00    +0.133 C 
ATOM      3  N   LIG    1       -0.021  -0.555   0.431  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.167  -0.580   1.210  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.091  -0.550   2.437  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.086  -0.184  -0.976  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.505   0.351  -1.135  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        7.272  -0.941   0.022  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1        6.066  -0.106   0.311  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        4.732  -0.696  -0.045  0.00  0.00    +0.254 A 
ATOM     11  O   LIG    1        4.677  -1.813  -0.557  0.00  0.00    -0.267 OA
ATOM     12  N   LIG    1        3.606   0.089   0.239  0.00  0.00    -0.310 N 
ATOM     13  C   LIG    1        3.725   1.351   0.804  0.00  0.00    +0.089 A 
ATOM     14  C   LIG    1        4.918   1.868   1.112  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        6.118   1.117   0.860  0.00  0.00    +0.010 A 
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  C   LIG    1       -2.438  -0.627   0.535  0.00  0.00    +0.121 A 
ATOM     17  N   LIG    1       -2.728  -1.354  -0.585  0.00  0.00    -0.272 N 
ATOM     18  H   LIG    1       -2.112  -1.975  -1.097  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -3.988  -1.214  -1.023  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -4.567  -0.438  -0.098  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -3.643  -0.061   0.904  0.00  0.00    +0.057 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -6.020  -0.066  -0.188  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.927  -1.296  -0.113  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -6.321   0.749  -1.447  0.00  0.00    +0.014 C 
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 3