REMARK  Name = BDB014133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.568  -0.389   0.338  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.430  -1.319   0.312  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.593  -0.595   0.140  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.307   0.755   0.068  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.002   0.843   0.194  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.935  -1.154   0.047  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.050  -2.505   0.132  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.290  -3.023   0.030  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.431  -2.260  -0.142  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.305  -0.871  -0.212  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.029  -0.312  -0.127  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.495  -0.064  -0.397  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.774   1.186   0.108  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        8.027   1.455  -0.359  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        8.607   2.276  -0.215  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        8.512   0.440  -1.084  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        7.583  -0.505  -1.110  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        6.078   2.140   0.963  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        5.500   1.553   2.035  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        5.114   2.811   0.291  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        6.937   3.078   1.445  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -1.983  -0.654   0.504  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.694  -0.802  -0.839  0.00  0.00    +0.060 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.056  -0.003  -0.334  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -4.175  -1.051  -0.663  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -4.676  -2.354  -0.813  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -6.035  -2.612  -0.645  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.903  -1.574  -0.323  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.417  -0.274  -0.167  0.00  0.00    +0.046 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -4.480   1.233  -0.193  0.00  0.00    -0.492 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -4.483   3.587   0.153  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -5.341   2.337   0.079  0.00  0.00    +0.225 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8