REMARK  Name = BDB059537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.499  -0.097   0.355  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        1.105  -0.968   1.181  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        2.037  -0.519   2.036  0.00  0.00    +0.192 A 
ATOM      4  N   LIG    1        2.407   0.755   2.164  0.00  0.00    -0.210 NA
ATOM      5  C   LIG    1        1.789   1.595   1.330  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        2.284   3.231   1.492  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1        0.837   1.240   0.409  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -0.475  -0.551  -0.558  0.00  0.00    -0.282 N 
BRANCH   8  13
ATOM      9  C   LIG    1       -4.216   2.761  -1.173  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.091   1.903  -1.691  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1       -2.351   1.050  -0.835  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.683   1.003   0.637  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -1.294   0.274  -1.373  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.031   0.336  -2.753  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -1.781   1.153  -3.593  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.803   1.933  -3.064  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   8  17
ATOM     17  C   LIG    1       -0.655  -2.006  -0.810  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -1.260  -2.737   0.391  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1        0.625  -2.681  -1.312  0.00  0.00    +0.028 C 
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  S   LIG    1        2.780  -1.732   3.099  0.00  0.00    -0.075 S 
BRANCH  20  21
ATOM     21  C   LIG    1        4.344  -0.890   3.486  0.00  0.00    +0.197 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.196  -0.644   2.261  0.00  0.00    +0.315 C 
ATOM     23  O   LIG    1        4.998  -0.986   1.107  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.324   0.034   2.572  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        6.779   0.140   1.709  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7