REMARK  Name = BDB055826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.370   0.224  -1.080  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.686  -0.918  -0.676  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        0.644  -1.156  -1.220  0.00  0.00    +0.147 C 
ATOM      4  C   LIG    1        1.730  -1.077  -0.173  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        1.667  -1.691   1.085  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1        2.723  -1.527   1.990  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.857  -0.787   1.652  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.966  -0.183   0.396  0.00  0.00    -0.016 A 
ATOM      9  O   LIG    1        0.644  -2.442   1.597  0.00  0.00    -0.490 OA
ATOM     10  C   LIG    1       -0.283  -3.007   0.676  0.00  0.00    +0.248 C 
ATOM     11  C   LIG    1        2.893  -0.340  -0.499  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.273  -1.961   0.171  0.00  0.00    +0.149 C 
ATOM     13  O   LIG    1       -0.943   1.048  -1.883  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  21
ATOM     14  C   LIG    1       -3.792  -0.419  -2.634  0.00  0.00    +0.047 C 
ATOM     15  C   LIG    1       -3.870   0.163  -1.253  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -5.111   0.465  -0.680  0.00  0.00    +0.152 A 
ATOM     17  F   LIG    1       -6.227   0.182  -1.366  0.00  0.00    -0.203 F 
ATOM     18  C   LIG    1       -5.196   1.043   0.584  0.00  0.00    +0.123 A 
ATOM     19  C   LIG    1       -4.039   1.353   1.305  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -2.793   1.071   0.748  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -2.713   0.470  -0.516  0.00  0.00    +0.043 A 
BRANCH  18  22
ATOM     22  S   LIG    1       -6.783   1.403   1.272  0.00  0.00    -0.003 S 
ATOM     23  O   LIG    1       -6.579   1.645   2.690  0.00  0.00    -0.170 OA
ATOM     24  O   LIG    1       -7.395   2.413   0.433  0.00  0.00    -0.170 OA
ATOM     25  C   LIG    1       -7.719  -0.098   1.147  0.00  0.00    +0.200 C 
ENDBRANCH  18  22
ENDBRANCH   1  21
BRANCH   8  26
ATOM     26  C   LIG    1        5.158   0.592   0.027  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.874   0.337  -1.142  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        6.981   1.013  -1.542  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.414   2.001  -0.745  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        6.776   2.346   0.436  0.00  0.00    +0.044 A 
ATOM     31  C   LIG    1        5.641   1.632   0.826  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  N   LIG    1        8.536   2.702  -1.176  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        8.851   2.252  -2.032  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.260   2.717  -0.469  0.00  0.00    +0.144 HD
ENDBRANCH  29  32
ENDBRANCH   8  26
TORSDOF 4