REMARK  Name = BDB050465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.647  -0.644   0.640  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1        0.889  -0.788   2.009  0.00  0.00    +0.235 A 
ATOM      3  F   LIG    1        1.936  -0.131   2.538  0.00  0.00    -0.182 F 
ATOM      4  N   LIG    1        0.153  -1.543   2.849  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -0.898  -2.192   2.302  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -1.248  -2.121   0.955  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -0.440  -1.340   0.116  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        0.579   0.060  -2.228  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.436   0.484  -1.457  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        1.514   0.185  -0.111  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        2.258   0.613   0.431  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.540   1.401  -1.969  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1        3.916   0.744  -1.889  0.00  0.00    +0.097 C 
ATOM     14  N   LIG    1        4.808   1.853  -1.534  0.00  0.00    -0.294 NA
ATOM     15  C   LIG    1        4.064   2.675  -0.582  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        2.670   2.715  -1.193  0.00  0.00    +0.029 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.118   1.387  -1.023  0.00  0.00    +0.198 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.156   2.454  -0.618  0.00  0.00    +0.402 C 
ATOM     19  F   LIG    1        7.430   3.307  -1.627  0.00  0.00    -0.169 F 
ATOM     20  F   LIG    1        6.733   3.179   0.444  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1        8.319   1.860  -0.257  0.00  0.00    -0.169 F 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1       -2.441  -2.876   0.416  0.00  0.00    +0.163 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.718  -2.415   0.966  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -4.382  -1.259   0.448  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -5.575  -0.826   1.040  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.258   0.308   0.578  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.753   1.028  -0.499  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.574   0.612  -1.108  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.128  -1.582   2.175  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -7.151  -1.231   2.751  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -5.430  -2.695   2.548  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -5.791  -3.212   3.335  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -3.895  -0.522  -0.641  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.245  -3.131   2.032  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -3.699  -4.113   2.533  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6