REMARK  Name = BDB025466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.342  -1.474  -2.165  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        1.391  -0.719  -1.632  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.767  -0.428  -2.097  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        3.317   0.798  -1.342  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1        3.064   0.734   0.139  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1        1.617   0.649   0.522  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1        0.900  -0.216  -0.448  0.00  0.00    +0.069 A 
ATOM      8  N   LIG    1       -0.411  -0.640  -0.344  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.350  -0.326   0.659  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -1.007   0.421   1.572  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.738  -1.444  -1.395  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.735  -0.945   0.499  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.726   0.056  -0.069  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.706   0.648   0.751  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.629   1.537   0.178  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.551   1.885  -1.171  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.566   1.316  -1.962  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -4.493   1.639  -3.260  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.891   0.256   2.083  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -5.318   0.990   2.645  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.761  -0.382   2.739  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.662   0.405  -1.430  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.201  -1.490   1.859  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     24  N   LIG    1        0.407  -2.155  -3.313  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -0.332  -2.834  -3.468  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        1.305  -2.477  -3.656  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  S   LIG    1        4.157  -0.144   1.090  0.00  0.00    +0.038 S 
ATOM     28  O   LIG    1        4.497  -1.355   0.380  0.00  0.00    -0.158 OA
ATOM     29  O   LIG    1        3.653  -0.181   2.446  0.00  0.00    -0.158 OA
BRANCH  27  30
ATOM     30  C   LIG    1        5.557   0.936   1.099  0.00  0.00    +0.257 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.601   0.337   1.991  0.00  0.00    +0.363 C 
ATOM     32  F   LIG    1        7.490   1.313   2.327  0.00  0.00    -0.207 F 
ATOM     33  F   LIG    1        7.318  -0.588   1.303  0.00  0.00    -0.207 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   5  27
TORSDOF 5