REMARK  Name = BDB061783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.321  -0.609  -0.371  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.041  -1.782  -1.067  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.086  -1.910  -1.781  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.926  -2.853  -1.018  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.112  -2.744  -0.286  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.432  -1.552   0.389  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.516  -0.487   0.347  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -4.259   1.336   0.202  0.00  0.00    +0.074 C 
ATOM      9  N   LIG    1       -4.705  -0.047  -0.110  0.00  0.00    -0.297 NA
ATOM     10  C   LIG    1       -3.848  -1.047   0.571  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.391  -0.634   0.879  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -1.900   0.420  -0.005  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.587   0.547  -0.445  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.124   1.593  -0.897  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.763   1.595  -0.133  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     16  C   LIG    1       -6.069   1.625   1.995  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -4.584   1.726   1.665  0.00  0.00    +0.017 C 
ENDBRANCH   8  17
BRANCH   9  18
ATOM     18  C   LIG    1       -4.731  -0.267  -1.569  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -5.649  -1.425  -1.948  0.00  0.00    +0.020 C 
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        3.719  -1.460   1.187  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.409  -0.175   1.074  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1        5.157   0.163  -0.096  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.807   1.401  -0.166  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        6.553   1.777  -1.292  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.657   0.908  -2.373  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.020  -0.328  -2.325  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.706   2.328   0.971  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1        6.270   3.416   0.976  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1        4.951   1.900   2.026  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1        4.866   2.531   2.808  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1        5.277  -0.698  -1.197  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        4.300   0.706   2.141  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1        3.655   0.470   3.162  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5