REMARK  Name = BDB015627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.126  -0.917  -0.566  0.00  0.00    +0.328 A 
ATOM      2  N   LIG    1       -0.905  -0.152  -0.211  0.00  0.00    -0.175 NA
ATOM      3  C   LIG    1       -0.598   1.106   0.098  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.630   1.620   0.035  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        1.552   0.745  -0.327  0.00  0.00    +0.241 A 
ATOM      6  N   LIG    1        1.382  -0.512  -0.683  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.721   1.988   0.518  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.479   3.263   0.886  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.487   4.131   1.284  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.124   5.487   1.665  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.825   3.749   1.335  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.758   4.471   1.673  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.105   2.345   0.940  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.108   1.536   0.561  0.00  0.00    +0.018 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.832   1.293  -0.456  0.00  0.00    -0.188 N 
ATOM     16  H   LIG    1        2.787   2.304  -0.345  0.00  0.00    +0.176 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.962   0.690   0.622  0.00  0.00    +0.048 S 
ATOM     18  O   LIG    1        3.347  -0.220   1.561  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.659   1.871   1.095  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.110  -0.208  -0.446  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1        6.269  -0.746   0.391  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        4.438  -1.338  -1.212  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1       -0.101  -2.232  -0.958  0.00  0.00    -0.420 OA
BRANCH  23  26
ATOM     24  C   LIG    1       -1.962  -2.948  -2.988  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -2.226  -3.177  -1.528  0.00  0.00    -0.005 A 
ATOM     26  C   LIG    1       -1.293  -2.788  -0.555  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -1.544  -3.028   0.798  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -0.634  -2.695   1.725  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -2.735  -3.617   1.206  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.682  -3.983   0.251  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.428  -3.767  -1.108  0.00  0.00    +0.007 A 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6