REMARK  Name = BDB047914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.051  -0.891   1.155  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -3.230  -2.184   1.646  0.00  0.00    +0.128 A 
ATOM      3  F   LIG    1       -4.432  -2.567   2.102  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.182  -3.099   1.670  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.920  -2.727   1.200  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.716  -1.438   0.704  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -1.783  -0.533   0.672  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -4.187   0.097   1.149  0.00  0.00    +0.149 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -4.389   1.454  -0.878  0.00  0.00    +0.403 C 
ATOM     10  N   LIG    1       -4.727   0.308  -0.187  0.00  0.00    -0.252 N 
ATOM     11  O   LIG    1       -3.560   2.272  -0.492  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -4.757   2.755  -2.790  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -5.077   1.578  -2.047  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -5.758  -0.617  -0.669  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -7.174  -0.247  -0.246  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -8.188  -0.847  -0.575  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -7.264   0.819   0.576  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -8.226   0.911   0.743  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  O   LIG    1        0.461  -0.946   0.213  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.649  -1.694   0.493  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.862  -0.953   0.046  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.078  -0.259  -1.127  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        2.269   0.028  -2.323  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        4.342   0.257  -1.084  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        4.840  -0.157   0.125  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        3.999  -0.895   0.827  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.197   0.269   0.460  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.969   1.046  -0.417  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.261   1.449  -0.067  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.800   1.076   1.163  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.047   0.306   2.046  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.755  -0.096   1.696  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 10