REMARK  Name = BDB025462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.700   0.869  -0.563  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        1.403   0.142  -0.592  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1        0.312   1.153  -0.519  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        0.447   2.509  -0.309  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.858   3.011  -0.351  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -1.757   2.053  -0.544  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1        1.779   3.136  -0.120  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -1.038   0.899  -0.645  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.675  -0.348  -0.807  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.986  -1.365  -0.790  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        2.787   2.058   0.326  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -3.188  -0.306  -0.966  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.920  -0.790   0.280  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -5.018  -1.667   0.166  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.646  -2.137   1.330  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.258  -1.680   2.588  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.228  -0.759   2.686  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -3.862  -0.301   3.890  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -5.425  -2.186  -1.072  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -6.405  -2.456  -1.077  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -5.029  -1.420  -2.243  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.561  -0.308   1.552  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.535  -1.162  -2.196  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     24  S   LIG    1        4.077   0.144  -1.165  0.00  0.00    +0.037 S 
ATOM     25  O   LIG    1        5.005   1.211  -1.484  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        3.660  -0.781  -2.199  0.00  0.00    -0.158 OA
BRANCH  24  28
ATOM     27  C   LIG    1        5.354   0.076   1.315  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1        4.809  -0.841   0.212  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1        5.982  -1.645  -0.380  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1        3.787  -1.817   0.803  0.00  0.00    +0.036 C 
ENDBRANCH  24  28
ENDBRANCH   1  24
BRANCH   5  31
ATOM     31  N   LIG    1       -1.179   4.298  -0.207  0.00  0.00    -0.341 N 
ATOM     32  H   LIG    1       -2.158   4.523  -0.063  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -0.537   4.968   0.193  0.00  0.00    +0.144 HD
ENDBRANCH   5  31
TORSDOF 4