REMARK  Name = BDB059901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.233   0.901  -0.666  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -1.584  -0.232  -0.190  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.233   0.067  -0.252  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.791  -0.851   0.069  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.467  -2.041   0.497  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.873  -2.338   0.621  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.125   1.369  -0.655  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.908  -1.527   0.307  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -1.294   1.898  -0.926  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.255  -2.050   0.598  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.934  -1.634   1.751  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.197  -2.150   2.048  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.787  -3.084   1.198  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.117  -3.504   0.049  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.854  -2.991  -0.250  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1       -3.665   1.109  -0.903  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1       -4.502   0.216  -0.950  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.966   2.431  -1.092  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -5.523   4.188  -1.527  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -5.349   2.692  -1.345  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1        2.107  -0.464  -0.084  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.299   0.242  -0.784  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.182  -1.435   0.044  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.506  -0.722  -0.003  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.360  -0.869  -1.095  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1        5.006  -1.650  -2.125  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.584  -0.208  -1.147  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        6.974   0.622  -0.092  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        6.136   0.788   1.011  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1        4.908   0.116   1.049  0.00  0.00    +0.053 A 
BRANCH  29  31
ATOM     31  O   LIG    1        6.391   1.568   2.104  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1        7.633   2.260   2.128  0.00  0.00    +0.277 C 
ENDBRANCH  29  31
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8