REMARK  Name = BDB025391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.889   0.781  -0.896  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.450   0.322  -0.783  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.008  -0.922  -0.418  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.352  -0.698  -0.229  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.464  -1.575   0.218  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.817  -0.993  -0.236  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.911   0.461   0.136  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.915   1.310  -0.620  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.571   0.641  -0.606  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.452   1.235  -1.014  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.102   1.890  -1.385  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -7.000   0.303   0.403  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -5.787   0.358  -0.486  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -4.491   0.101   0.023  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -4.354  -0.252   1.374  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.791   0.443   1.978  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -3.062  -0.715   1.846  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.938   0.078   1.216  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.968  -0.112  -0.306  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.375   0.160  -0.843  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -3.581   0.413  -2.210  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.858   0.659  -2.693  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -5.034   0.908  -3.998  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.956   0.643  -1.848  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  S   LIG    1        6.476   1.123   0.072  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        6.366   2.552   0.270  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        7.137   0.573  -1.091  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        7.221   0.438   1.538  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        0.340  -2.100  -0.285  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -0.299  -2.371  -1.034  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        0.903  -2.920  -0.053  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 3