REMARK  Name = BDB003114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.736  -0.199   0.783  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -1.357  -1.440   0.555  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.069  -2.596   1.500  0.00  0.00    +0.054 C 
ATOM      4  C   LIG    1       -1.617  -3.948   1.042  0.00  0.00    +0.006 C 
ATOM      5  C   LIG    1       -3.021  -3.805   0.481  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.021  -2.849  -0.710  0.00  0.00    +0.039 C 
ATOM      7  C   LIG    1       -2.240  -1.586  -0.456  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.411  -0.417  -1.392  0.00  0.00    +0.115 A 
ATOM      9  S   LIG    1       -2.996  -0.555  -2.975  0.00  0.00    -0.030 S 
ATOM     10  N   LIG    1       -2.085   0.821  -0.888  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -1.279   0.911   0.127  0.00  0.00    +0.142 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -0.994   2.304   0.583  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -0.559   3.255  -0.345  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -0.299   4.559   0.074  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -0.487   4.913   1.412  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.944   3.968   2.332  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.206   2.662   1.919  0.00  0.00    +0.011 A 
ENDBRANCH  11  12
BRANCH   1  18
ATOM     18  C   LIG    1        0.548  -0.095   1.508  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.734  -0.596   0.671  0.00  0.00    +0.037 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.003   0.280  -0.559  0.00  0.00    +0.085 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.153   0.411  -2.670  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.172  -0.185  -1.330  0.00  0.00    -0.308 NA
ATOM     23  C   LIG    1        4.435   0.146  -0.667  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5