REMARK  Name = BDB065224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.105   1.930  -0.825  0.00  0.00    -0.340 N 
ATOM      2  H   LIG    1       -1.760   1.721  -1.760  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -4.379  -0.067   1.367  0.00  0.00    +0.102 A 
ATOM      4  C   LIG    1       -4.801  -1.043   0.460  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -4.309  -1.047  -0.838  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.403  -0.062  -1.240  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.959   0.929  -0.352  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.486   0.934   0.946  0.00  0.00    +0.041 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -6.020  -0.554   2.993  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -4.920  -0.084   2.744  0.00  0.00    +0.340 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -4.083   0.386   3.689  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -3.164   0.530   3.396  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
BRANCH   4  13
ATOM     13  O   LIG    1       -5.708  -2.019   0.773  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -6.144  -1.783   1.622  0.00  0.00    +0.292 HD
ENDBRANCH   4  13
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -1.019   2.425   0.019  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.244   1.636  -0.239  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        1.204   2.105  -1.144  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        2.364   1.365  -1.397  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.593   0.134  -0.762  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        1.621  -0.333   0.135  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        0.461   0.405   0.393  0.00  0.00    +0.006 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.813  -0.644  -1.033  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        5.087  -0.065  -0.893  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        6.246  -0.803  -1.149  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        6.138  -2.128  -1.550  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1        7.247  -2.836  -1.796  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        4.895  -2.728  -1.698  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        3.737  -1.989  -1.440  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7