REMARK  Name = BDB025375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.040  -1.535   0.578  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.302  -1.105   0.469  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.323  -1.242   1.422  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.436  -0.645   0.889  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.811  -0.449   1.408  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.776  -0.153   0.243  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.218   0.935  -0.636  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        2.961   0.503  -1.352  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.041  -0.191  -0.387  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        0.768  -0.485  -0.662  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.393  -2.122   1.600  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.241   1.203   0.618  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -4.802   1.202   0.173  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -4.097  -0.005  -0.034  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -4.723  -1.223   0.214  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.717  -1.252   0.020  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -4.013  -2.480   0.096  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -2.873  -2.399  -0.905  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.936  -1.217  -0.614  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -2.738   0.055  -0.403  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -2.123   1.301  -0.613  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.833   2.483  -0.435  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.165   2.434  -0.041  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  S   LIG    1        5.333   1.647  -1.703  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        4.603   2.539  -2.578  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        6.168   0.592  -2.234  0.00  0.00    -0.158 OA
ATOM     27  C   LIG    1        6.304   2.656  -0.601  0.00  0.00    +0.215 C 
ENDBRANCH   7  24
BRANCH   3  28
ATOM     28  N   LIG    1        1.157  -1.858   2.615  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        1.793  -1.693   3.390  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        0.209  -2.111   2.917  0.00  0.00    +0.144 HD
ENDBRANCH   3  28
TORSDOF 3