REMARK  Name = BDB035249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.189  -2.570  -1.280  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -1.666  -3.532  -2.227  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -3.141  -2.968  -0.262  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1        3.619  -0.421   0.159  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1        2.812  -0.723  -1.123  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1        1.454  -1.020  -0.569  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.336  -0.556   0.746  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        0.155  -0.699   1.458  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.924  -1.327   0.834  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -0.807  -1.776  -0.494  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1        0.390  -1.634  -1.208  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        2.603   0.101   1.202  0.00  0.00    +0.058 C 
BRANCH   4  15
ATOM     13  C   LIG    1        6.720   1.725   0.523  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.725   0.645   0.854  0.00  0.00    +0.210 C 
ATOM     15  N   LIG    1        4.718   0.503  -0.074  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1        4.579   1.255  -0.738  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        5.809  -0.030   1.874  0.00  0.00    -0.276 OA
ENDBRANCH   4  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  N   LIG    1       -2.874  -1.337  -2.205  0.00  0.00    -0.214 N 
ATOM     19  H   LIG    1       -2.514  -1.352  -3.159  0.00  0.00    +0.174 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.165  -0.068  -1.628  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -4.023   0.112  -0.529  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.305   1.376   0.023  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -5.204   1.143   1.113  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1       -5.442  -0.208   1.194  0.00  0.00    +0.103 A 
ATOM     25 CL   LIG    1       -5.885   2.296   2.163  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1       -3.677   2.486  -0.584  0.00  0.00    +0.052 A 
ATOM     27 CL   LIG    1       -3.979   4.043   0.054  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -2.829   2.336  -1.683  0.00  0.00    +0.022 A 
ATOM     29  N   LIG    1       -4.738  -0.818   0.197  0.00  0.00    -0.358 N 
ATOM     30  H   LIG    1       -4.683  -1.821   0.039  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -2.583   1.069  -2.200  0.00  0.00    +0.028 A 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4