REMARK  Name = BDB035250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.912   2.608   0.111  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.803   3.047  -0.800  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.766   1.483   0.252  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.811   0.477  -0.729  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        2.578  -0.694  -0.579  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.346  -1.473  -1.757  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.475  -0.783  -2.566  0.00  0.00    +0.103 A 
ATOM      8 CL   LIG    1        2.996  -2.999  -2.139  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1        3.328  -0.812   0.614  0.00  0.00    +0.052 A 
ATOM     10 CL   LIG    1        4.273  -2.218   0.842  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        3.300   0.178   1.598  0.00  0.00    +0.022 A 
ATOM     12  N   LIG    1        1.165   0.392  -1.945  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1        0.543   1.094  -2.321  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1        2.518   1.312   1.417  0.00  0.00    +0.028 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.466   2.723   1.081  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1       -0.069   2.790   2.470  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -1.299   3.742   0.480  0.00  0.00    -0.150 OA
BRANCH  15  24
ATOM     18  O   LIG    1       -3.501  -0.159  -2.738  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1       -3.269  -0.783  -1.722  0.00  0.00    +0.340 C 
ATOM     20  C   LIG    1       -2.535  -0.291  -0.567  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -2.429  -1.308   0.360  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.748  -1.112   1.549  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -1.160   0.137   1.775  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -1.267   1.158   0.809  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -3.125  -2.505  -0.156  0.00  0.00    +0.268 C 
ATOM     26  C   LIG    1       -1.982   0.962  -0.375  0.00  0.00    +0.044 A 
ATOM     27  O   LIG    1       -3.609  -2.076  -1.449  0.00  0.00    -0.456 OA
ENDBRANCH  15  24
ENDBRANCH   1  15
TORSDOF 3