REMARK  Name = BDB001097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.219   0.183  -0.948  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -2.098  -0.199  -0.195  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.456  -1.415  -0.457  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.935  -2.259  -1.453  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -1.350  -3.441  -1.696  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -3.034  -1.885  -2.220  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -3.672  -0.666  -1.972  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.329  -1.821   0.396  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        0.942  -1.906  -0.159  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        2.068  -2.283   0.699  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        3.217  -1.271   0.586  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.619  -1.001  -0.803  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        4.669  -0.170  -1.172  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        4.911   0.074  -2.355  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        2.777  -1.596  -1.848  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.281  -1.471  -1.524  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.571  -2.017   1.585  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1        5.538   0.409  -0.049  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        6.428   1.562  -0.536  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        7.770   0.913  -0.836  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        7.918  -0.088   0.294  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        6.514  -0.651   0.492  0.00  0.00    +0.013 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1       -3.920   1.497  -0.682  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.067   1.741   0.730  0.00  0.00    -0.487 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -6.435   2.141   1.139  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -5.293   1.322   1.182  0.00  0.00    +0.133 A 
ATOM     27  C   LIG    1       -5.359   0.042   1.746  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.574  -0.449   2.220  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -7.711   0.347   2.139  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -8.880  -0.128   2.590  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.654   1.631   1.607  0.00  0.00    +0.055 A 
BRANCH  25  35
ATOM     32  N   LIG    1       -5.251   4.204   0.566  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -5.287   5.192   0.354  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -4.418   3.834   1.008  0.00  0.00    +0.145 HD
ATOM     35  C   LIG    1       -6.442   3.538   0.626  0.00  0.00    +0.245 C 
ATOM     36  O   LIG    1       -7.483   4.093   0.296  0.00  0.00    -0.270 OA
ENDBRANCH  25  35
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6