REMARK  Name = BDB002199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.226  -0.826  -0.403  0.00  0.00    -0.249 N 
ATOM      2  C   LIG    1       -3.069   0.123   0.226  0.00  0.00    +0.149 C 
ATOM      3  S   LIG    1       -4.681  -0.076   0.052  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -2.578   1.205   0.973  0.00  0.00    -0.249 N 
ATOM      5  C   LIG    1       -1.153   1.352   1.102  0.00  0.00    +0.257 C 
ATOM      6  O   LIG    1       -0.714   2.342   1.788  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.191   0.452   0.508  0.00  0.00    +0.099 C 
ATOM      8  C   LIG    1        1.081   0.416   0.497  0.00  0.00    +0.018 C 
ATOM      9  C   LIG    1       -0.851  -0.670  -0.269  0.00  0.00    +0.257 C 
ATOM     10  O   LIG    1       -0.101  -1.503  -0.819  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.068  -3.118  -0.275  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -2.824  -1.928  -1.171  0.00  0.00    +0.112 C 
ENDBRANCH   1  12
BRANCH   4  13
ATOM     13  C   LIG    1       -3.435   2.175   1.613  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -3.738   3.347   0.698  0.00  0.00    +0.025 C 
ENDBRANCH   4  13
BRANCH   8  15
ATOM     15  C   LIG    1        2.450   0.376   0.485  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        3.177  -0.563  -0.156  0.00  0.00    +0.046 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.630  -0.563  -0.138  0.00  0.00    +0.128 A 
ATOM     18  O   LIG    1        5.384   0.307   0.488  0.00  0.00    -0.464 OA
ATOM     19  C   LIG    1        6.641   0.064   0.333  0.00  0.00    +0.195 A 
ATOM     20  C   LIG    1        6.770  -1.057  -0.458  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        5.490  -1.450  -0.753  0.00  0.00    +0.049 A 
ENDBRANCH  16  17
ENDBRANCH   8  15
TORSDOF 4