REMARK  Name = BDB001202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -1.075  -1.656  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        0.923  -0.457  -0.835  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        1.625   0.655  -1.315  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        1.355   1.144  -2.602  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.416   0.509  -3.419  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.273  -0.608  -2.951  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.637   1.372  -0.485  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        3.361   0.572   0.377  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.217  -0.436   0.302  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.765   2.580  -0.644  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.356   0.957   1.312  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.024  -0.039   2.068  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        6.012   0.323   3.000  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        6.333   1.663   3.187  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        7.541   2.103   4.330  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.682   2.650   2.456  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.698   2.298   1.526  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1        4.684  -1.476   1.882  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        3.850  -1.906   1.103  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        5.389  -2.302   2.673  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        5.062  -3.201   2.454  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  S   LIG    1       -0.928  -2.475  -1.046  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1       -0.721  -3.571  -1.973  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1       -0.683  -2.611   0.377  0.00  0.00    -0.148 OA
BRANCH  22  29
ATOM     25  C   LIG    1       -5.337   0.103  -0.455  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1       -4.451  -0.858  -1.000  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1       -4.568  -1.780  -2.087  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -3.383  -2.468  -2.192  0.00  0.00    +0.113 A 
ATOM     29  N   LIG    1       -2.563  -2.016  -1.190  0.00  0.00    -0.218 N 
ATOM     30  C   LIG    1       -3.172  -1.024  -0.448  0.00  0.00    +0.076 A 
ATOM     31  C   LIG    1       -2.738  -0.254   0.643  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -3.619   0.692   1.168  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1       -4.894   0.871   0.632  0.00  0.00    +0.046 A 
BRANCH  25  35
ATOM     34  C   LIG    1       -7.499   1.105  -0.448  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -6.567   0.214  -1.046  0.00  0.00    -0.494 OA
ENDBRANCH  25  35
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 7