REMARK  Name = BDB015376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.071  -1.636   0.269  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.214  -2.122   1.270  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        0.309  -3.429   0.842  0.00  0.00    +0.161 C 
ATOM      4  C   LIG    1       -0.584  -3.723  -0.369  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -1.628  -4.794  -0.078  0.00  0.00    +0.034 C 
ATOM      6  N   LIG    1       -1.288  -2.458  -0.708  0.00  0.00    -0.250 NA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -4.067   1.323   0.012  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1       -3.372   1.122   1.306  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1       -2.674  -0.247   1.410  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -1.593  -0.382   0.399  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1       -1.873   0.373  -0.846  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.382   0.582  -1.074  0.00  0.00    +0.103 C 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.084   3.497   0.696  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.224   2.746  -0.316  0.00  0.00    +0.081 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  S   LIG    1        0.792  -1.220   2.275  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1        1.512  -2.152   3.124  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.080  -0.110   2.873  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.980  -0.530   1.138  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        1.702   0.685   0.510  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        2.639   1.242  -0.363  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.865   0.602  -0.604  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        4.139  -0.605   0.060  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.206  -1.167   0.934  0.00  0.00    +0.029 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.899   1.192  -1.547  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        4.358   1.309  -2.974  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        5.410   2.545  -1.045  0.00  0.00    +0.012 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH   2  15
TORSDOF 5