REMARK  Name = BDB056382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.477  -3.750  -2.852  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        1.713  -2.873  -2.027  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        2.992  -2.736  -1.571  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        3.660  -3.376  -1.971  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        3.489  -1.612  -0.994  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        4.689  -1.414  -0.852  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.454  -0.652  -0.590  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.027  -0.955  -0.876  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.006  -0.097  -0.387  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        0.383   1.204   0.123  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.750   1.451   0.412  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.158   2.651   1.011  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.229   3.639   1.301  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.102   3.453   0.946  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -0.540   2.263   0.322  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        2.777   0.472   0.058  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        0.745  -2.030  -1.562  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.194  -0.759   0.054  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -1.505  -0.839   1.425  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.661  -1.496   1.853  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -3.507  -2.076   0.916  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -4.615  -2.706   1.330  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.219  -2.017  -0.441  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -2.063  -1.362  -0.872  0.00  0.00    +0.029 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  C   LIG    1       -1.973   2.240  -0.166  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -2.470   3.498  -0.371  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.142   1.608  -1.359  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.832   1.666   0.718  0.00  0.00    -0.166 F 
ENDBRANCH  15  25
TORSDOF 2