REMARK  Name = BDB054822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.194  -0.172  -0.290  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.319  -0.091  -1.673  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.359   0.542  -2.235  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.631  -0.683  -2.498  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.730  -1.336  -1.934  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.893  -1.389  -0.539  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.914  -0.810   0.281  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.709   1.423   1.284  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.152   0.504   0.596  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.466   0.061   0.657  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.396   0.777   1.544  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.585  -0.095   1.974  0.00  0.00    +0.125 C 
ATOM     13  N   LIG    1        5.329  -0.631   0.811  0.00  0.00    -0.311 N 
ATOM     14  C   LIG    1        4.495  -0.976  -0.366  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        3.007  -1.139  -0.001  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.473   0.109   0.457  0.00  0.00    +0.140 A 
ATOM     17  N   LIG    1        6.711   1.310   1.032  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        7.827   1.971   0.640  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1        8.703   1.466  -0.301  0.00  0.00    +0.130 A 
ATOM     20  N   LIG    1        8.508   0.271  -0.891  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1        7.389  -0.385  -0.485  0.00  0.00    +0.154 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -3.096  -2.072   0.075  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.424  -1.542  -0.450  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -4.965  -0.250   0.101  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -4.255   0.503   1.030  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -3.245   0.413   0.949  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -4.671   1.869   1.337  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -6.194   1.928   1.424  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -6.841   1.380   0.145  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.172   0.127  -0.348  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -6.877  -0.677  -1.370  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -7.975  -0.347  -1.808  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.226  -1.800  -1.807  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.699  -2.368  -2.502  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.025  -2.257  -1.357  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4