REMARK  Name = BDB025353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529  -0.442  -0.397  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        0.709  -0.969   0.024  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1        1.975  -0.558  -0.339  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.300   0.568  -1.250  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1        3.779   0.823  -1.212  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1        4.608  -0.432  -1.148  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        4.332  -1.242   0.132  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        2.866  -1.393   0.300  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.068  -2.272   1.040  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.772  -2.031   0.879  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.527   0.469  -1.220  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.634   3.361   1.657  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.838   2.008   1.044  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -2.766   1.118   0.913  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.942  -0.161   0.349  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -1.754  -1.110   0.212  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -2.099  -2.326  -0.660  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -3.471  -2.856  -0.294  0.00  0.00    +0.102 C 
ATOM     19  N   LIG    1       -4.475  -1.843  -0.577  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -5.427  -2.160  -0.410  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.236  -0.584  -0.005  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.298   0.323   0.101  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.108   1.599   0.633  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  S   LIG    1        4.293   2.094  -0.213  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        3.537   2.042   1.020  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        5.741   2.092  -0.200  0.00  0.00    -0.158 OA
ATOM     27  C   LIG    1        3.772   3.519  -1.147  0.00  0.00    +0.215 C 
ENDBRANCH   5  24
BRANCH   9  28
ATOM     28  N   LIG    1        2.543  -3.244   1.825  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1        1.880  -3.643   2.482  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        3.471  -3.153   2.223  0.00  0.00    +0.144 HD
ENDBRANCH   9  28
TORSDOF 3