REMARK  Name = BDB016955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.675   2.204  -1.780  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.310   1.863  -1.455  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.891   0.805  -0.674  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.494   0.931  -0.652  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.895   2.028  -1.397  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.210   2.559  -1.862  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.801  -0.146  -0.047  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.348  -1.198  -0.795  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.227  -2.101  -0.195  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -3.554  -1.949   1.148  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1       -4.398  -2.816   1.723  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.018  -0.913   1.904  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.138  -0.009   1.306  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.457   0.070   0.032  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1        1.015  -1.101   0.552  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        1.906  -1.892   1.186  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        3.245  -1.584   1.310  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.690  -0.392   0.745  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        2.787   0.461   0.113  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.122  -0.050   0.871  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        5.784  -0.343   1.851  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.631   0.566  -0.216  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        5.039   0.610  -0.991  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   4  14
TORSDOF 4