REMARK  Name = BDB057040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.126   1.021   0.907  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.938   0.775   0.705  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.943   1.715   0.996  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -1.489  -0.412   0.181  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -0.537  -0.423  -0.133  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.529   1.560   0.863  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.114   0.448   1.743  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.623   0.352   1.526  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        3.021   0.219   0.125  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        1.951   0.328  -0.864  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.019   1.508  -0.593  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.936  -0.907  -0.142  0.00  0.00    +0.141 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.329  -2.269   0.092  0.00  0.00    +0.077 A 
ATOM     14  N   LIG    1        2.514  -2.842  -0.810  0.00  0.00    -0.178 NA
ATOM     15  N   LIG    1        2.220  -4.040  -0.276  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        1.599  -4.659  -0.791  0.00  0.00    +0.188 HD
ATOM     17  C   LIG    1        2.793  -4.246   0.943  0.00  0.00    +0.105 A 
ATOM     18  C   LIG    1        3.537  -3.123   1.206  0.00  0.00    +0.045 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  19
ATOM     19  C   LIG    1       -2.225  -1.584  -0.091  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -1.544  -2.630  -0.732  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -2.187  -3.847  -1.022  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.536  -4.000  -0.677  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.218  -2.967  -0.037  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.563  -1.768   0.258  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -1.445  -4.953  -1.725  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -1.964  -6.191  -1.482  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -0.131  -5.037  -1.353  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -1.441  -4.807  -3.077  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH   4  19
BRANCH   3  29
ATOM     29  C   LIG    1       -1.406   3.039   1.433  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.226   4.093   0.361  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -1.930   4.001  -0.849  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -1.749   4.959  -1.847  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.872   6.023  -1.645  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.177   6.132  -0.442  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.353   5.172   0.557  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7