REMARK  Name = BDB057814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.659   0.505  -0.346  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.083   1.756  -0.106  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.161   2.663   0.223  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.796   2.363   0.299  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.121   3.378   0.674  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.317   4.671   0.950  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.670   4.965   0.860  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.452   1.033  -0.006  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -2.574   3.961   0.501  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.379   0.111  -0.318  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.628  -1.852  -0.354  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -3.675  -0.489  -0.739  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.756  -0.074  -1.551  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.739  -0.964  -1.988  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.669  -2.301  -1.625  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.624  -2.741  -0.816  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -2.261  -1.613   1.623  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -2.544  -2.401   0.549  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -2.885  -3.610   1.092  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -1.369  -2.634  -0.100  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.906   0.650   0.029  0.00  0.00    -0.318 N 
ATOM     22  H   LIG    1        1.435   1.258  -0.589  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.159  -0.752  -0.269  0.00  0.00    +0.192 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.612  -0.975  -0.270  0.00  0.00    -0.078 C 
ATOM     25  C   LIG    1        3.800  -1.155  -0.267  0.00  0.00    -0.063 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.213  -1.364  -0.254  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        5.914  -1.606  -1.428  0.00  0.00    +0.127 A 
ATOM     28  N   LIG    1        7.253  -1.810  -1.483  0.00  0.00    -0.262 NA
ATOM     29  C   LIG    1        7.917  -1.771  -0.307  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.307  -1.537   0.916  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        5.929  -1.330   0.939  0.00  0.00    +0.020 A 
ENDBRANCH  25  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6