REMARK  Name = BDB063820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.180  -3.739  -1.490  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.141  -2.571  -1.156  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.239  -1.704  -0.650  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.484  -2.165  -0.476  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.744  -0.441  -0.403  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.515  -0.514  -0.716  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.921  -1.727  -1.152  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.834  -1.986  -1.476  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.638  -1.405   0.027  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        3.849  -0.054  -0.294  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.990   0.626   0.180  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        5.912  -0.072   0.964  0.00  0.00    +0.039 A 
ATOM     13  S   LIG    1        7.196   0.990   1.404  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1        6.438   2.252   0.532  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.733  -1.425   1.287  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1        5.306   1.956  -0.063  0.00  0.00    -0.247 NA
ATOM     17  C   LIG    1        4.591  -2.075   0.802  0.00  0.00    +0.009 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.360   0.543  -0.618  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.908   1.335  -0.167  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.795   0.466  -0.410  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.423   1.823  -0.753  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.922   1.838  -0.467  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.222   1.440   0.975  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.597   0.094   1.329  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.097   0.076   1.042  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3