REMARK  Name = BDB059401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.070   0.174   0.539  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        0.886  -0.560   0.672  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.334  -0.014   0.258  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -0.314   1.290  -0.241  0.00  0.00    +0.230 A 
ATOM      5  N   LIG    1        0.819   2.025  -0.392  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.978   1.449  -0.009  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.560  -0.803   0.367  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -1.822  -1.943  -0.377  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -3.061  -2.441  -0.013  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -3.570  -3.646  -0.638  0.00  0.00    +0.273 A 
ATOM     11  N   LIG    1       -2.729  -4.203  -1.591  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -3.078  -5.043  -2.036  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -1.505  -3.685  -1.946  0.00  0.00    +0.104 A 
ATOM     14  O   LIG    1       -4.650  -4.171  -0.379  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1       -3.612  -1.609   0.947  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1       -4.936  -1.759   1.607  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -1.051  -2.572  -1.354  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -2.664  -0.576   1.173  0.00  0.00    +0.032 A 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        3.396  -0.410   0.932  0.00  0.00    +0.202 C 
BRANCH  19  20
ATOM     20  S   LIG    1        4.114  -1.217  -0.499  0.00  0.00    -0.027 S 
ATOM     21  O   LIG    1        4.542  -0.196  -1.437  0.00  0.00    -0.174 OA
ATOM     22  O   LIG    1        3.219  -2.281  -0.920  0.00  0.00    -0.174 OA
BRANCH  20  24
ATOM     23  C   LIG    1        6.610  -1.037   0.676  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1        5.576  -2.010   0.149  0.00  0.00    +0.163 C 
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   4  25
ATOM     25  O   LIG    1       -1.513   1.833  -0.689  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.630   3.194  -0.562  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1       -1.665   3.812   0.692  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -1.568   3.082   1.813  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -1.823   5.188   0.798  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -1.959   5.939  -0.364  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -2.114   7.266  -0.274  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.948   5.336  -1.621  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -1.791   3.954  -1.722  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6