REMARK  Name = BDB017090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.111  -2.815   0.198  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.757  -2.347   0.373  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.275  -1.086   0.082  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.068  -1.145   0.449  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.377  -2.401   0.948  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.735  -3.091   0.885  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.100  -0.017  -0.471  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.507  -0.059  -1.812  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -3.306   0.960  -2.317  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1       -3.698   2.019  -1.503  0.00  0.00    +0.165 A 
ATOM     11  F   LIG    1       -4.468   2.991  -2.012  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -3.300   2.076  -0.174  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.501   1.054   0.343  0.00  0.00    +0.013 A 
BRANCH   9  14
ATOM     14  O   LIG    1       -3.699   0.897  -3.624  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1       -4.213   1.708  -3.802  0.00  0.00    +0.292 HD
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   4  16
ATOM     16  C   LIG    1        1.071  -0.083   0.343  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        0.691   1.103  -0.192  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        1.621   2.073  -0.294  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        2.932   1.927   0.117  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        3.321   0.707   0.670  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        2.371  -0.313   0.782  0.00  0.00    +0.041 A 
BRANCH  20  22
ATOM     22  C   LIG    1        4.691   0.506   1.118  0.00  0.00    +0.204 A 
ATOM     23  N   LIG    1        5.164  -0.629   1.663  0.00  0.00    -0.133 NA
ATOM     24  N   LIG    1        6.438  -0.276   1.881  0.00  0.00    -0.176 N 
ATOM     25  H   LIG    1        7.113  -0.912   2.296  0.00  0.00    +0.214 HD
ATOM     26  N   LIG    1        6.774   0.967   1.520  0.00  0.00    -0.049 NA
ATOM     27  N   LIG    1        5.658   1.483   1.026  0.00  0.00    -0.108 NA
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 4