REMARK  Name = BDB059186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.139  -1.679  -1.071  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.914  -1.418  -0.602  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.403  -0.181  -0.811  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.115   0.809  -1.466  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.378   0.444  -1.903  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        2.891  -0.796  -1.733  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.954  -0.007  -0.261  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.035   0.374  -1.071  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -3.313   0.547  -0.534  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.541   0.267   0.818  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -2.478  -0.112   1.655  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.198  -0.250   1.106  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -4.274   0.927  -1.434  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -5.081   2.014  -0.983  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.804   0.387   1.346  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.474  -0.873   1.280  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -2.793  -0.335   2.971  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -1.731  -0.671   3.853  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        0.597   2.125  -1.657  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        0.186   3.195  -1.840  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        2.759  -3.314  -0.796  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        4.523  -3.032  -1.122  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.955  -5.240  -0.662  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.309  -4.249  -0.868  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        3.473   1.563  -2.770  0.00  0.00    -0.040 S 
BRANCH  25  26
ATOM     26  C   LIG    1        4.119   2.413  -1.382  0.00  0.00    +0.164 A 
ATOM     27  S   LIG    1        5.316   3.635  -1.522  0.00  0.00    -0.047 S 
ATOM     28  C   LIG    1        5.226   3.801   0.182  0.00  0.00    +0.182 A 
ATOM     29  N   LIG    1        4.369   2.994   0.768  0.00  0.00    -0.149 NA
ATOM     30  N   LIG    1        3.722   2.187  -0.147  0.00  0.00    -0.135 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10