REMARK  Name = BDB057827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.172  -0.373   0.179  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -1.554  -1.649   0.311  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -0.860  -2.564  -0.367  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.226  -2.238  -1.190  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.931  -3.275  -1.853  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.546  -4.606  -1.713  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.541  -4.919  -0.909  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.529  -0.866  -1.277  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.228  -3.899  -0.245  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.161   0.057  -0.589  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.306   0.662   1.077  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -1.895   0.634   0.969  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.155   1.615   1.666  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.779   2.580   2.458  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.162   2.589   2.573  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.920   1.639   1.891  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -5.482   0.108   0.246  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.185  -0.323   0.335  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -4.263  -1.541   0.935  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.808  -0.536  -0.957  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        1.601  -0.449  -2.101  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.431  -0.816  -3.033  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.849   0.991  -2.154  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.598   1.498  -0.939  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.184   2.677  -0.299  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.880   3.167   0.808  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.999   2.484   1.280  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        4.855   3.087   2.646  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.430   1.318   0.652  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.734   0.829  -0.456  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5