REMARK  Name = BDB036470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.433  -0.242  -1.155  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.926   0.016  -0.831  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        1.256  -1.002   0.042  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1        2.504  -1.159   0.637  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        3.486  -0.210   0.318  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        3.179   0.849  -0.581  0.00  0.00    +0.142 A 
ATOM      7  O   LIG    1        0.177  -1.808   0.220  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.904   0.973  -1.159  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -0.883  -1.333  -0.530  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.196   0.552  -2.000  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.854   1.468  -2.268  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.858   0.412  -2.171  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.274   1.612  -2.876  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.116  -0.891  -2.744  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.440  -0.364  -0.026  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1       -3.497   0.547  -0.522  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.048   1.599   0.292  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.477   1.698   1.618  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.405   0.789   2.115  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.900  -0.223   1.290  0.00  0.00    +0.048 A 
BRANCH  17  21
ATOM     21  O   LIG    1       -2.142   2.518  -0.176  0.00  0.00    -0.493 OA
ATOM     22  C   LIG    1       -2.755   3.802  -0.333  0.00  0.00    +0.277 C 
ENDBRANCH  17  21
BRANCH  15  23
ATOM     23  O   LIG    1       -4.979  -1.296  -0.865  0.00  0.00    -0.490 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -3.782  -3.317  -0.158  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -5.121  -2.628  -0.361  0.00  0.00    +0.226 C 
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  26
ATOM     26  O   LIG    1        4.226   1.717  -0.818  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        4.002   2.767  -1.752  0.00  0.00    +0.277 C 
ENDBRANCH   6  26
BRANCH   5  28
ATOM     28  N   LIG    1        4.800  -0.254   0.860  0.00  0.00    -0.295 N 
ATOM     29  H   LIG    1        5.342   0.521   0.484  0.00  0.00    +0.154 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.401  -1.101   1.724  0.00  0.00    +0.145 A 
ATOM     31  N   LIG    1        4.880  -2.168   2.337  0.00  0.00    -0.159 NA
ATOM     32  N   LIG    1        5.882  -2.658   3.079  0.00  0.00    -0.283 N 
ATOM     33  H   LIG    1        5.704  -3.488   3.635  0.00  0.00    +0.188 HD
ATOM     34  C   LIG    1        7.036  -1.945   2.975  0.00  0.00    +0.107 A 
ATOM     35  C   LIG    1        6.757  -0.923   2.100  0.00  0.00    +0.064 A 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 9