REMARK  Name = BDB018795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.234  -1.760   0.986  0.00  0.00    -0.249 N 
ATOM      2  C   LIG    1        2.093  -0.932   0.256  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1        3.157  -1.372  -0.206  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.124  -1.448   1.055  0.00  0.00    +0.168 A 
ATOM      5  S   LIG    1       -1.138  -2.352   2.107  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -2.485  -1.413   1.627  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -2.092  -0.480   0.689  0.00  0.00    +0.080 A 
ATOM      8  N   LIG    1       -0.745  -0.523   0.359  0.00  0.00    -0.224 NA
BRANCH   7   9
ATOM      9  C   LIG    1       -2.997   0.469   0.054  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.075   1.036   0.750  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.926   1.947   0.118  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.708   2.300  -1.212  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.639   1.747  -1.912  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.787   0.838  -1.281  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   2  15
ATOM     15  C   LIG    1        1.772   0.573   0.099  0.00  0.00    +0.170 C 
ATOM     16  N   LIG    1        2.993   1.405   0.442  0.00  0.00    -0.258 N 
ATOM     17  C   LIG    1        3.440   2.105  -0.780  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1        2.171   2.237  -1.601  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        1.473   0.911  -1.366  0.00  0.00    +0.034 C 
BRANCH  16  20
ATOM     20  C   LIG    1        3.739   1.231   1.540  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1        4.362   1.084   2.503  0.00  0.00    -0.174 NA
ENDBRANCH  16  20
ENDBRANCH   2  15
BRANCH   1  23
ATOM     22  C   LIG    1        1.599  -4.153   0.414  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1        1.800  -3.038   1.433  0.00  0.00    +0.112 C 
ENDBRANCH   1  23
TORSDOF 5