REMARK  Name = BDB025397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.357  -0.905   0.226  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.676   0.109  -0.642  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        2.197   0.096  -0.384  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        1.325   0.802  -1.099  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.097   0.554  -0.530  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.225  -0.394   0.510  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.010   1.276  -1.047  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -0.870   1.964  -2.059  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.574  -0.630   0.647  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.351  -1.483   1.583  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        3.820  -1.017   1.614  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.313   1.164  -0.293  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.281   0.120  -0.835  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -4.647   0.260  -0.508  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -5.551  -0.734  -0.943  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1       -5.124  -1.813  -1.717  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -3.781  -1.927  -2.059  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1       -7.233  -0.633  -0.544  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1       -5.080   1.303   0.317  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1       -6.083   1.473   0.253  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.261   2.484   0.540  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.864  -0.972  -1.619  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.029   2.524  -0.349  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1        6.646   0.441   0.793  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1        6.025  -1.042   0.021  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        6.311  -0.958  -1.393  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        6.474  -2.167   0.813  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1       -0.776  -0.963   1.229  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -1.693  -1.136   0.819  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.539  -1.741   1.845  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3