REMARK  Name = BDB054824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.907  -0.707  -1.842  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.973  -1.042  -0.805  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -3.091  -0.065  -0.548  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1       -3.262   1.086  -1.315  0.00  0.00    -0.342 N 
ATOM      5  H   LIG    1       -2.950   0.991  -2.278  0.00  0.00    +0.146 HD
ATOM      6  C   LIG    1       -4.488   1.873  -1.194  0.00  0.00    +0.102 C 
ATOM      7  C   LIG    1       -4.899   1.952   0.272  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -5.034   0.550   0.880  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.908  -0.361   0.476  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -3.743  -1.623   1.230  0.00  0.00    +0.270 A 
ATOM     11  O   LIG    1       -4.485  -1.919   2.162  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -2.734  -2.446   0.810  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1       -2.595  -3.312   1.322  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -1.830  -2.166  -0.167  0.00  0.00    -0.174 NA
ENDBRANCH   1   2
BRANCH   1  20
ATOM     15  C   LIG    1        2.545  -0.212  -0.261  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        2.526   1.164  -0.027  0.00  0.00    +0.135 A 
ATOM     17  F   LIG    1        3.566   1.787   0.550  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        1.419   1.936  -0.376  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        0.309   1.337  -0.971  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.300  -0.041  -1.221  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        1.420  -0.808  -0.855  0.00  0.00    +0.020 A 
BRANCH  15  24
ATOM     22  N   LIG    1        4.806  -0.478   0.659  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1        4.728   0.489   0.955  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.705  -1.082   0.089  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        3.653  -2.288  -0.132  0.00  0.00    -0.270 OA
BRANCH  22  27
ATOM     26  C   LIG    1        7.147  -0.407   1.376  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        5.913  -1.262   1.163  0.00  0.00    +0.101 C 
ENDBRANCH  22  27
ENDBRANCH  15  24
ENDBRANCH   1  20
TORSDOF 4