REMARK  Name = BDB025427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877  -0.014   1.959  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.174   0.175   1.030  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1        0.408  -0.421  -0.224  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1        1.550   0.167  -0.719  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.312  -0.053  -1.976  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        3.365   1.048  -2.172  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.081   1.393  -0.912  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.212   1.912   0.183  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        1.979   1.064   0.281  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.180   1.057   1.344  0.00  0.00    -0.165 NA
ATOM     11  O   LIG    1       -0.739   0.403   3.111  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -4.601   1.720  -2.123  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.118   0.831  -1.037  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1       -4.839  -0.261  -0.624  0.00  0.00    -0.358 N 
ATOM     15  H   LIG    1       -5.735  -0.543  -1.000  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1       -4.183  -0.913   0.396  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -2.999  -0.213   0.642  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.142  -0.697   1.655  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -2.509  -1.820   2.412  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -3.699  -2.490   2.138  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.553  -2.054   1.120  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -2.978   0.888  -0.264  0.00  0.00    +0.031 A 
ENDBRANCH   1  18
BRANCH   7  23
ATOM     23  S   LIG    1        5.481   0.579  -0.481  0.00  0.00    +0.029 S 
ATOM     24  O   LIG    1        6.142   0.155  -1.697  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1        6.173   1.390   0.497  0.00  0.00    -0.158 OA
ATOM     26  C   LIG    1        4.896  -0.883   0.356  0.00  0.00    +0.215 C 
ENDBRANCH   7  23
BRANCH   3  27
ATOM     27  N   LIG    1       -0.321  -1.410  -0.793  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -0.160  -1.677  -1.762  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -1.239  -1.705  -0.469  0.00  0.00    +0.144 HD
ENDBRANCH   3  27
TORSDOF 3