REMARK  Name = BDB064525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.764  -1.209  -0.131  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        3.893  -0.488   0.305  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        3.995   0.695   1.031  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        5.253   1.034   1.136  0.00  0.00    -0.192 NA
ATOM      5  C   LIG    1        5.940   0.010   0.525  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        5.146  -0.954   0.033  0.00  0.00    -0.139 NA
ATOM      7  O   LIG    1        2.928  -2.355  -0.554  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        7.409  -0.020   0.437  0.00  0.00    +0.110 A 
ATOM      9  N   LIG    1        8.085   1.026   0.988  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        9.437   1.000   0.908  0.00  0.00    +0.149 A 
ATOM     11  C   LIG    1       10.150  -0.020   0.305  0.00  0.00    +0.141 A 
ATOM     12  F   LIG    1       11.487   0.014   0.259  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        9.457  -1.082  -0.253  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        8.064  -1.085  -0.188  0.00  0.00    +0.034 A 
ENDBRANCH   5   8
BRANCH   1  18
ATOM     15  C   LIG    1       -1.310   0.195  -0.055  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -0.281   0.980  -0.607  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        1.047   0.541  -0.645  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        1.376  -0.702  -0.107  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        0.371  -1.516   0.419  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -0.954  -1.063   0.450  0.00  0.00    +0.024 A 
BRANCH  15  24
ATOM     21  N   LIG    1       -5.364  -0.115  -0.940  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1       -4.690   1.119  -1.392  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.148   1.003  -1.393  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1       -2.617   0.693  -0.040  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1       -3.618   0.139   0.895  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.638  -0.767   0.170  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     27  C   LIG    1       -7.521  -1.304  -0.821  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -6.814   0.056  -0.760  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -7.229   0.815   0.507  0.00  0.00    +0.024 C 
ENDBRANCH  21  28
ENDBRANCH  15  24
ENDBRANCH   1  18
BRANCH   3  30
ATOM     30  N   LIG    1        2.976   1.392   1.579  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1        3.279   2.126   2.217  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        2.155   0.913   1.938  0.00  0.00    +0.145 HD
ENDBRANCH   3  30
TORSDOF 5