REMARK  Name = BDB001239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.597   1.730  -3.211  0.00  0.00    +0.293 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.724   1.833  -2.240  0.00  0.00    +0.136 A 
ATOM      3  S   LIG    1        2.256   3.341  -1.624  0.00  0.00    +0.032 S 
ATOM      4  N   LIG    1        3.465   2.656  -0.706  0.00  0.00    -0.189 NA
ATOM      5  C   LIG    1        3.412   1.331  -0.897  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        2.441   0.829  -1.773  0.00  0.00    -0.220 NA
BRANCH   5   7
ATOM      7  C   LIG    1        4.341   0.410  -0.232  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        4.255  -0.970  -0.456  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.140  -1.851   0.175  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        6.128  -1.375   1.043  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        6.220  -0.004   1.272  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.334   0.880   0.639  0.00  0.00    +0.015 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.918  -2.347   1.585  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        7.945  -1.944   2.474  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        8.610  -3.044   2.893  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        7.436  -1.324   3.560  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.830  -1.129   1.861  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   5   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.589   2.299  -2.647  0.00  0.00    -0.485 OA
BRANCH  18  24
ATOM     19  C   LIG    1       -1.671  -1.844  -0.103  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -2.038  -0.488  -0.647  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -3.308   0.062  -0.391  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -3.619   1.314  -0.913  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -2.673   2.026  -1.658  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -1.411   1.491  -1.913  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -1.094   0.235  -1.400  0.00  0.00    +0.052 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.154  -0.732   0.321  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.201  -0.237   1.176  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -6.490  -0.016   0.376  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -4.796   0.964   2.042  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.453  -1.411   2.147  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -4.799  -2.436   2.267  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.529  -1.229   2.951  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -6.544  -2.045   3.496  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 10