REMARK  Name = BDB027174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.062   0.296  -1.476  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -0.197   1.433  -0.678  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.393   1.650   0.012  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -2.466   0.746  -0.090  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -2.306  -0.386  -0.910  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.115  -0.611  -1.604  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.724   0.981   0.638  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -4.419   2.197   0.508  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -5.613   2.421   1.198  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -6.121   1.429   2.025  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1       -7.266   1.642   2.688  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.460   0.217   2.175  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -4.266  -0.005   1.483  0.00  0.00    +0.011 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  S   LIG    1        1.442   0.012  -2.369  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        1.097  -0.546  -3.656  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        2.297   1.170  -2.240  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        2.137  -1.238  -1.490  0.00  0.00    -0.185 NA
ATOM     18  H   LIG    1        2.434  -2.014  -2.082  0.00  0.00    +0.148 HD
BRANCH  17  21
ATOM     19  N   LIG    1        5.194  -0.954   0.501  0.00  0.00    -0.268 N 
ATOM     20  C   LIG    1        4.336  -0.417  -0.599  0.00  0.00    +0.136 C 
ATOM     21  C   LIG    1        2.915  -0.915  -0.288  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1        3.164  -2.179   0.521  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        4.352  -1.796   1.386  0.00  0.00    +0.118 C 
BRANCH  19  25
ATOM     24  N   LIG    1        7.376   0.041   1.188  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        6.367  -0.422   0.863  0.00  0.00    +0.169 C 
ENDBRANCH  19  25
ENDBRANCH  17  21
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5