REMARK  Name = BDB002641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.258  -0.751  -0.187  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        1.253   0.210   0.150  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.055  -1.377  -0.433  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.110  -2.519  -0.841  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.683  -0.602  -0.087  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1        2.522  -1.317  -0.362  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.820  -2.637  -0.821  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        4.172  -2.887  -0.883  0.00  0.00    +0.048 A 
ATOM      9  S   LIG    1        5.089  -1.539  -0.389  0.00  0.00    -0.088 S 
BRANCH   5  10
ATOM     10  C   LIG    1        3.762   0.767   0.399  0.00  0.00    +0.347 C 
ATOM     11  O   LIG    1        2.779   1.467   0.629  0.00  0.00    -0.244 OA
BRANCH  10  13
ATOM     12  C   LIG    1        5.179   2.522   1.042  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        5.050   1.183   0.567  0.00  0.00    -0.464 OA
ENDBRANCH  10  13
ENDBRANCH   5  10
ENDBRANCH   1   6
BRANCH   3  14
ATOM     14  C   LIG    1       -1.102  -0.484  -0.141  0.00  0.00    +0.068 C 
ATOM     15  C   LIG    1       -2.352  -0.930  -0.333  0.00  0.00    +0.016 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.532  -0.094  -0.053  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -3.946   0.917  -0.940  0.00  0.00    +0.049 A 
ATOM     18 CL   LIG    1       -3.108   1.240  -2.421  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -5.070   1.704  -0.660  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -5.799   1.496   0.508  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.407   0.499   1.397  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.284  -0.290   1.121  0.00  0.00    +0.049 A 
ATOM     23 CL   LIG    1       -3.864  -1.502   2.286  0.00  0.00    -0.083 Cl
ENDBRANCH  15  16
ENDBRANCH   3  14
TORSDOF 5