REMARK  Name = BDB061896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.653   0.086  -2.045  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        1.362  -0.407  -3.300  0.00  0.00    +0.167 A 
ATOM      3  F   LIG    1        2.300  -0.742  -4.195  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        0.034  -0.570  -3.598  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -0.965  -0.276  -2.742  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -0.619   0.198  -1.536  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        0.661   0.382  -1.162  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  14
ATOM      8  N   LIG    1        7.274   0.754   1.296  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        7.023   1.056  -0.045  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        7.868   1.524  -0.802  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        5.645   0.787  -0.551  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        4.618   0.420   0.327  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1        3.323   0.206  -0.175  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.027   0.324  -1.549  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.082   0.693  -2.404  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.895   0.325   1.801  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        5.373   0.923  -1.914  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        6.343  -0.090   2.035  0.00  0.00    +0.112 C 
BRANCH   8  20
ATOM     19  C   LIG    1        9.472  -0.374   1.503  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        8.643   0.867   1.790  0.00  0.00    +0.105 C 
ENDBRANCH   8  20
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  N   LIG    1       -1.565   0.528  -0.585  0.00  0.00    -0.268 N 
ATOM     22  H   LIG    1       -1.153   0.875   0.266  0.00  0.00    +0.156 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.945   0.500  -0.530  0.00  0.00    +0.125 A 
ATOM     24  N   LIG    1       -3.474   0.927   0.634  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1       -4.829   0.927   0.764  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1       -5.745   0.504  -0.199  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.156   0.089  -1.395  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.766   0.080  -1.563  0.00  0.00    +0.045 A 
BRANCH  26  29
ATOM     29  N   LIG    1       -7.133   0.524  -0.054  0.00  0.00    -0.326 N 
ATOM     30  C   LIG    1       -7.750   1.225   1.092  0.00  0.00    +0.120 C 
ATOM     31  C   LIG    1       -7.941   0.282   2.304  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1       -8.685  -0.954   1.979  0.00  0.00    -0.313 NA
ATOM     33  H   LIG    1       -9.622  -0.688   1.677  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -8.015  -1.631   0.846  0.00  0.00    +0.100 C 
ATOM     35  C   LIG    1       -7.850  -0.727  -0.400  0.00  0.00    +0.120 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5