REMARK  Name = BDB032586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.258   2.239  -1.353  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.628   2.494  -2.265  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.185   1.369  -1.326  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.271   0.862  -2.473  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.322   0.035  -2.125  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        1.498   0.053  -0.772  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.556   0.896  -0.226  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.578  -0.771  -0.238  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.798  -0.845   1.146  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.829  -1.633   1.669  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.655  -2.357   0.814  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.453  -2.295  -0.561  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.422  -1.508  -1.083  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -1.207   3.229   0.975  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -2.128   2.760  -0.038  0.00  0.00    +0.075 S 
ATOM     16  O   LIG    1       -3.186   3.607  -0.545  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.889   1.286   0.546  0.00  0.00    +0.127 A 
ATOM     18  C   LIG    1       -2.611   0.827   1.820  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1       -3.146  -0.309   2.327  0.00  0.00    -0.261 NA
ATOM     20  C   LIG    1       -4.003  -0.990   1.532  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -4.350  -0.590   0.249  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -3.782   0.576  -0.255  0.00  0.00    +0.032 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4