REMARK  Name = BDB015452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -1.503   0.660  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.186  -2.254  -0.405  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        0.924  -3.390   0.179  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.116  -2.897   1.609  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.119  -1.823   1.829  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -4.058   0.676   0.544  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.747  -0.607  -0.127  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.304  -0.727  -0.663  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.312  -0.567   0.418  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.782   0.247   1.557  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.831   1.284   1.110  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.256   2.858   0.348  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.764   1.598  -0.357  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        0.907  -1.579  -1.777  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1        1.292  -2.670  -2.651  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.139  -0.467  -2.290  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.405  -0.874  -1.306  0.00  0.00    +0.149 A 
ATOM     18  C   LIG    1        2.655   0.247  -0.532  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1        1.744   1.232   0.103  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1        4.026   0.310  -0.435  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1        4.657  -0.682  -1.095  0.00  0.00    -0.177 NA
ATOM     22  C   LIG    1        3.666  -1.389  -1.640  0.00  0.00    +0.163 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.827   1.283   0.288  0.00  0.00    +0.140 C 
ATOM     24  C   LIG    1        5.260   2.439  -0.597  0.00  0.00    +0.029 C 
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5