REMARK  Name = BDB026342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.891   0.288  -1.022  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.856  -0.758  -1.086  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.524  -0.179  -0.693  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.994   0.927  -1.559  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.144   1.686  -2.121  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.445   1.668  -1.282  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.903  -0.557  -0.249  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.482   0.716  -0.061  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.173   0.950  -0.321  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.775   2.214  -0.092  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.224   0.001  -0.764  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.737  -1.294  -0.935  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.079  -1.584  -0.680  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.476   0.238   0.695  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.053   0.267   0.488  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.551   1.151   0.499  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.350  -0.827   0.032  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.839  -1.936  -0.149  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.931   1.811  -0.850  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.218   1.116  -0.450  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.587   1.013   0.899  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.779   0.373   1.244  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -5.622  -0.173   0.266  0.00  0.00    +0.088 A 
ATOM     24  N   LIG    1       -6.826  -0.824   0.589  0.00  0.00    -0.236 NA
ATOM     25  C   LIG    1       -7.162  -0.916   1.850  0.00  0.00    +0.209 A 
ATOM     26  C   LIG    1       -6.312  -0.355   2.968  0.00  0.00    +0.279 A 
ATOM     27  O   LIG    1       -6.653  -0.458   4.136  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -5.252  -0.068  -1.073  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -5.148   0.268   2.588  0.00  0.00    -0.319 N 
ATOM     30  H   LIG    1       -4.567   0.650   3.322  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -4.062   0.571  -1.431  0.00  0.00    +0.007 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -8.422  -1.586   2.317  0.00  0.00    +0.439 C 
ATOM     33  F   LIG    1       -9.169  -2.082   1.288  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       -9.247  -0.741   2.995  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1       -8.181  -2.645   3.139  0.00  0.00    -0.164 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5