REMARK  Name = BDB031386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.665  -0.150   0.757  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.589  -0.990   0.204  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.267  -0.192   0.122  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.227   0.309   1.424  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.892   0.567   2.356  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.252   0.905   1.700  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.694  -0.761  -0.138  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -6.338   0.446   0.363  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -5.021   0.606   0.639  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -4.691   1.825   1.102  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -4.004  -0.358   0.455  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.451  -1.580  -0.070  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.798  -1.792  -0.371  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1      -10.335   0.194  -0.475  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.939   0.136  -0.137  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.452   0.971   0.178  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -8.148  -0.949  -0.449  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.565  -1.988  -0.948  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.089   1.490   1.274  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.387   1.191   0.560  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.435   0.556   1.239  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        3.301   0.241   2.538  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.630   0.254   0.590  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1        5.676  -0.386   1.281  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1        5.551  -0.629   2.257  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        6.885  -0.718   0.709  0.00  0.00    +0.275 A 
ATOM     27  C   LIG    1        7.020  -0.361  -0.677  0.00  0.00    +0.135 A 
ATOM     28  N   LIG    1        6.004   0.263  -1.352  0.00  0.00    -0.225 N 
ATOM     29  N   LIG    1        6.306   0.522  -2.642  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1        7.547   0.046  -2.777  0.00  0.00    +0.139 A 
ATOM     31  C   LIG    1        8.053  -0.520  -1.584  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.380  -1.138  -1.361  0.00  0.00    +0.048 C 
ATOM     33  O   LIG    1        7.755  -1.277   1.369  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        4.778   0.594  -0.756  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1        3.754   1.231  -1.458  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1        2.560   1.527  -0.795  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4