REMARK  Name = BDB051777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.318   0.237  -0.492  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.307   1.621  -0.630  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.498   2.222  -1.514  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.144   2.413   0.150  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.019   1.814   1.060  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.076   0.416   1.182  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        2.210  -0.368   0.404  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -5.241  -0.475  -1.389  0.00  0.00    +0.235 C 
ATOM      9  N   LIG    1       -3.858  -0.428  -1.296  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -3.058  -0.144  -0.101  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -1.659   0.412  -0.421  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -0.908  -0.449  -1.341  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.470  -0.630  -1.329  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        1.035  -1.518  -1.966  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -1.701  -1.271  -2.257  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -3.092  -0.686  -2.527  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -5.771  -0.593  -2.506  0.00  0.00    -0.274 OA
BRANCH   8  18
ATOM     18  C   LIG    1       -6.190  -0.312  -0.132  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -6.313   1.187   0.182  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -5.731  -1.121   1.089  0.00  0.00    +0.037 C 
BRANCH  18  22
ATOM     21  C   LIG    1       -8.691  -0.413   0.095  0.00  0.00    +0.102 C 
ATOM     22  N   LIG    1       -7.491  -0.930  -0.541  0.00  0.00    -0.307 NA
ATOM     23  H   LIG    1       -7.571  -0.819  -1.560  0.00  0.00    +0.123 HD
ENDBRANCH  18  22
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  C   LIG    1        4.033  -0.239   2.152  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.484   0.206   1.969  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        6.294  -0.323   0.817  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        5.681  -1.346  -0.091  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1        7.546   0.164   0.693  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        8.527  -0.168  -0.394  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        8.062   1.139   1.696  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        9.200   1.593   1.633  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        7.201   1.495   2.696  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        7.543   2.157   3.384  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        5.927   1.060   2.844  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5