REMARK  Name = BDB025357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.935   0.448  -1.123  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        1.496   0.339  -0.796  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1        1.303  -0.761   0.185  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.258  -1.720   0.484  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.712  -2.471   1.524  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.507  -2.047   1.859  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1        3.591  -1.778  -0.170  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1        0.205  -1.020   1.006  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.094  -0.456   1.129  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -1.782  -0.735   2.110  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.639  -0.838  -1.382  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.562   0.471   0.026  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.983   0.144  -0.410  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.051   1.008  -0.104  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.334   0.703  -0.583  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.574  -0.473  -1.294  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.521  -1.337  -1.553  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -4.744  -2.465  -2.240  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -3.842   2.239   0.536  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.673   2.547   1.037  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.633   2.335   1.338  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.233  -1.041  -1.125  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -1.429   1.924   0.501  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  25
ATOM     24  C   LIG    1        3.978   1.506   1.149  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1        3.788   1.792  -0.599  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        5.103   1.756  -1.201  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        2.923   2.942  -0.758  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   5  28
ATOM     28  N   LIG    1        2.329  -3.484   2.138  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1        3.033  -4.030   1.659  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.741  -4.047   2.747  0.00  0.00    +0.144 HD
ENDBRANCH   5  28
TORSDOF 3