REMARK  Name = BDB001679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.503   0.478  -0.452  0.00  0.00    -0.166 N 
ATOM      2  C   LIG    1       -2.658  -0.256  -0.689  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1       -3.552   0.185  -1.417  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.581   1.867  -0.455  0.00  0.00    +0.266 C 
ATOM      5  O   LIG    1       -0.913   2.573  -1.216  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   8
ATOM      6  N   LIG    1        1.728  -0.491  -1.077  0.00  0.00    -0.162 N 
ATOM      7  N   LIG    1        0.927   0.447  -0.548  0.00  0.00    -0.114 NA
ATOM      8  C   LIG    1       -0.281  -0.091  -0.795  0.00  0.00    +0.271 A 
ATOM      9  N   LIG    1       -0.178  -1.329  -1.394  0.00  0.00    -0.091 NA
ATOM     10  N   LIG    1        1.111  -1.573  -1.571  0.00  0.00    -0.044 NA
BRANCH   6  11
ATOM     11  C   LIG    1        3.170  -0.363  -1.079  0.00  0.00    +0.168 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.788  -0.900   0.210  0.00  0.00    +0.025 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.907   0.517   0.145  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        5.317  -0.884   0.196  0.00  0.00    -0.002 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  C   LIG    1       -2.793  -1.576  -0.063  0.00  0.00    +0.075 A 
ATOM     16  S   LIG    1       -1.993  -1.995   1.398  0.00  0.00    -0.092 S 
ATOM     17  C   LIG    1       -2.693  -3.553   1.419  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -3.548  -3.749   0.358  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.617  -2.604  -0.486  0.00  0.00    +0.021 A 
ENDBRANCH   2  15
BRANCH   4  20
ATOM     20  C   LIG    1       -2.569   2.482   0.438  0.00  0.00    +0.075 A 
ATOM     21  S   LIG    1       -3.048   1.766   1.920  0.00  0.00    -0.092 S 
ATOM     22  C   LIG    1       -4.094   3.064   2.294  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.059   4.047   1.332  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.168   3.719   0.270  0.00  0.00    +0.021 A 
ENDBRANCH   4  20
TORSDOF 6