REMARK  Name = BDB059204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.511   1.036   0.633  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        1.295  -0.225   0.246  0.00  0.00    -0.219 NA
ATOM      3  C   LIG    1        0.198  -0.473  -0.504  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -0.691   0.519  -0.872  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1       -0.396   1.785  -0.393  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.701   2.058   0.347  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.109  -1.895  -0.878  0.00  0.00    +0.066 A 
ATOM      8  N   LIG    1       -1.060  -2.586  -1.139  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1       -1.998  -2.204  -1.116  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -0.783  -3.894  -1.445  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1        0.576  -4.073  -1.363  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        1.134  -2.827  -0.999  0.00  0.00    +0.029 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -1.823   0.266  -1.697  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -2.740  -0.002  -2.356  0.00  0.00    -0.191 NA
ENDBRANCH   4  13
BRANCH   1  15
ATOM     15  S   LIG    1        2.925   1.395   1.635  0.00  0.00    -0.073 S 
BRANCH  15  16
ATOM     16  C   LIG    1        4.097   0.180   0.965  0.00  0.00    +0.165 C 
BRANCH  16  18
ATOM     17  C   LIG    1        4.859   0.743  -1.532  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        4.517   0.492  -0.408  0.00  0.00    -0.094 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1       -1.419   3.214  -0.725  0.00  0.00    -0.042 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.611   2.955   0.535  0.00  0.00    +0.141 A 
ATOM     21  S   LIG    1       -3.541   4.243   1.184  0.00  0.00    -0.069 S 
ATOM     22  C   LIG    1       -4.346   3.129   2.208  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -3.862   1.859   1.981  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1       -2.874   1.759   1.019  0.00  0.00    -0.241 NA
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7