REMARK  Name = BDB050008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.055   1.667  -0.481  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.680   0.801  -0.026  0.00  0.00    +0.243 C 
ATOM      3  N   LIG    1        0.330  -0.377   0.580  0.00  0.00    -0.261 N 
ATOM      4  H   LIG    1        1.023  -0.964   1.015  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.969  -0.784   0.690  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1       -1.166  -2.249   1.540  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1       -2.864  -2.132   1.300  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -3.167  -0.989   0.582  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1       -2.058  -0.224   0.240  0.00  0.00    -0.225 NA
BRANCH   8  10
ATOM     10  C   LIG    1       -4.513  -0.565   0.195  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.648  -1.364   0.403  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -6.917  -0.918   0.017  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.069   0.330  -0.583  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.954   1.134  -0.799  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.686   0.688  -0.414  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
ENDBRANCH   3   5
BRANCH   2  16
ATOM     16  C   LIG    1        2.148   1.048  -0.044  0.00  0.00    +0.068 C 
ATOM     17  C   LIG    1        3.063   0.093  -0.274  0.00  0.00    +0.013 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.509   0.351  -0.325  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        5.044   1.506  -0.911  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        6.426   1.702  -0.964  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.288   0.741  -0.441  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.770  -0.419   0.130  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.388  -0.616   0.182  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH   2  16
TORSDOF 4