REMARK  Name = BDB050804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.563   0.546  -1.910  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -3.335   1.768  -1.218  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.128   2.470  -1.333  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.132   3.667  -0.534  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.308   3.854   0.148  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.108   1.925  -2.150  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -1.342   0.773  -2.901  0.00  0.00    +0.046 A 
ATOM      8  S   LIG    1       -4.418   2.602  -0.152  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1       -2.545   0.095  -2.774  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.818  -0.294  -1.754  0.00  0.00    +0.079 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.736  -1.371  -0.650  0.00  0.00    +0.230 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.805  -1.595   1.721  0.00  0.00    +0.195 C 
ATOM     13  O   LIG    1       -4.656  -0.718   0.613  0.00  0.00    -0.368 OA
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -3.619  -2.387  -0.975  0.00  0.00    +0.334 C 
ATOM     15  O   LIG    1       -2.578  -2.523  -0.349  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.906  -3.178  -2.043  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -4.782  -3.031  -2.446  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  O   LIG    1        0.114   2.563  -2.222  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.176   1.754  -1.685  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.173   1.742  -0.155  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.067   0.692   0.390  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        1.772  -0.617   0.708  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        0.555  -1.448   0.648  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        2.918  -1.204   1.165  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        3.860  -0.209   1.099  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        3.398   0.939   0.635  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        5.213  -0.550   1.534  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.225   0.420   1.475  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        7.528   0.123   1.884  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.835  -1.151   2.358  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.842  -2.126   2.424  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.539  -1.827   2.015  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 10