REMARK  Name = BDB034846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.701  -2.345  -0.615  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        0.673  -2.493  -0.708  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1        1.612  -1.819  -1.269  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1        1.195  -3.959   0.153  0.00  0.00    -0.091 S 
ATOM      5  C   LIG    1       -0.451  -4.215   0.869  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -1.398  -3.535  -0.111  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.638   1.301   0.349  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -3.245   0.377  -0.498  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -2.596  -0.826  -0.806  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.332  -1.128  -0.280  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -0.737  -0.192   0.576  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.384   1.008   0.885  0.00  0.00    +0.047 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.407   2.878   0.162  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.157   2.507   0.730  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1        1.226  -0.772  -2.058  0.00  0.00    +0.271 C 
ATOM     16  O   LIG    1        0.488  -0.871  -3.032  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        1.819   0.501  -1.646  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.798   0.789  -0.634  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        2.983   2.170  -0.626  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        3.798   2.889   0.167  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.501   2.126   1.032  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.426   0.744   1.135  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.179   2.713  -1.586  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        2.131   3.702  -1.779  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        3.560   0.049   0.290  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.475   1.723  -2.213  0.00  0.00    +0.098 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4