REMARK  Name = BDB021415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.132   0.952   2.446  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.458   1.027   1.256  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.625   1.695   0.365  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.902   1.799  -1.058  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        3.274   2.407  -1.270  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        4.265   1.401  -1.384  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        4.469   0.545  -0.342  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        5.627  -0.229  -0.565  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        6.074  -1.195   0.347  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        5.343  -1.379   1.517  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.189  -0.625   1.745  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.721   0.345   0.825  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        7.333  -1.980   0.078  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        7.492  -2.292  -1.238  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.382  -3.163   0.749  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.453  -1.297   0.439  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
BRANCH   3  17
ATOM     17  C   LIG    1        0.350   2.236   0.865  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.785   1.192   1.023  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.431   0.164   1.956  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.394   0.434   2.413  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.181   0.569  -0.340  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.441  -0.190  -0.444  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.635   0.651  -0.269  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.932  -0.127  -0.361  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.953  -1.518  -0.148  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.168  -2.213  -0.205  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.359  -1.530  -0.447  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.345  -0.150  -0.639  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.661  -2.265   0.076  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.138   0.549  -0.593  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.502  -1.337   0.471  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 6