REMARK  Name = BDB016999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.677   0.947   1.175  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.822   0.862   0.429  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.424  -0.321   0.818  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.666  -0.926   1.802  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.638  -0.135   2.004  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.669  -0.878   0.290  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.928  -2.172   0.606  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.065  -2.729   0.141  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.981  -2.056  -0.641  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.707  -0.729  -0.959  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.537  -0.126  -0.490  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.623   0.084  -1.790  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.447   1.243  -2.113  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.716  -0.596  -2.177  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.224   0.053  -2.709  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.290   2.020   1.143  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.082   2.151  -0.172  0.00  0.00    +0.106 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -1.489  -0.109  -1.023  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -2.084   1.134  -0.531  0.00  0.00    -0.299 NA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.074   0.896   0.527  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.329   0.215   0.025  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1       -5.138   0.839  -0.934  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1       -6.293   0.210  -1.386  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -7.059   0.816  -2.303  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -6.667  -1.037  -0.900  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -5.870  -1.669   0.053  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.707  -1.046   0.514  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8