REMARK  Name = BDB001816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.153   0.319   0.350  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.818  -0.077  -0.814  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        2.215  -0.156  -0.832  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.950   0.159   0.313  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        2.276   0.553   1.473  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.881   0.634   1.498  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.049   0.137  -0.644  0.00  0.00    -0.187 NA
ATOM      8  C   LIG    1       -1.321   0.411   0.393  0.00  0.00    +0.138 C 
BRANCH   7  11
ATOM      9  O   LIG    1       -3.634  -0.565   1.690  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -4.119  -0.188   0.628  0.00  0.00    +0.263 C 
ATOM     11  N   LIG    1       -3.413   0.203  -0.506  0.00  0.00    -0.203 N 
ATOM     12  H   LIG    1       -3.897   0.159  -1.397  0.00  0.00    +0.178 HD
BRANCH  10  13
ATOM     13  C   LIG    1       -5.600  -0.173   0.484  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -6.252   0.730  -0.357  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -7.633   0.673  -0.419  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -8.380  -0.201   0.287  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -7.724  -1.050   1.108  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -6.349  -1.072   1.244  0.00  0.00    +0.033 A 
ENDBRANCH  10  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  O   LIG    1        4.311   0.126   0.432  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.054  -0.292  -0.711  0.00  0.00    +0.273 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.492  -0.221  -0.320  0.00  0.00    +0.048 A 
ATOM     22  S   LIG    1        7.463  -1.633  -0.188  0.00  0.00    -0.057 S 
ATOM     23  C   LIG    1        8.782  -0.653   0.245  0.00  0.00    +0.167 A 
ATOM     24 CL   LIG    1       10.306  -1.366   0.582  0.00  0.00    -0.054 Cl
ATOM     25  N   LIG    1        8.582   0.640   0.299  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        7.260   0.889  -0.017  0.00  0.00    +0.127 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6