REMARK  Name = BDB001697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.678   0.552   0.794  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.804   1.510   0.413  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.737   1.910   1.386  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.796   2.758   1.056  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.945   3.213  -0.251  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.036   2.819  -1.230  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.976   1.970  -0.903  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -1.045  -0.898   0.470  0.00  0.00    -0.031 A 
ATOM      9  C   LIG    1       -0.916  -1.416  -0.829  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -1.243  -2.745  -1.101  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.715  -3.570  -0.083  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.865  -3.067   1.207  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.535  -1.739   1.483  0.00  0.00    +0.005 A 
ENDBRANCH   1   8
BRANCH   1  16
ATOM     14  N   LIG    1        1.728   0.025   0.512  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1        1.415  -0.929   0.657  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        0.726   0.962   0.281  0.00  0.00    +0.225 C 
ATOM     17  O   LIG    1        0.987   2.055  -0.218  0.00  0.00    -0.275 OA
BRANCH  14  20
ATOM     18  O   LIG    1        2.187  -0.643  -2.274  0.00  0.00    -0.283 OA
ATOM     19  C   LIG    1        3.101  -0.500  -1.476  0.00  0.00    +0.209 C 
ATOM     20  C   LIG    1        3.029   0.199  -0.119  0.00  0.00    +0.151 C 
ATOM     21  C   LIG    1        4.139  -0.442   0.707  0.00  0.00    +0.042 C 
ATOM     22  C   LIG    1        5.365  -0.514  -0.184  0.00  0.00    +0.079 C 
ATOM     23  S   LIG    1        4.727  -1.120  -1.770  0.00  0.00    -0.086 S 
ENDBRANCH  14  20
ENDBRANCH   1  16
TORSDOF 4