REMARK  Name = BDB015372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -2.416   0.086  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.882  -2.695   1.280  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.831  -3.790   1.016  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.362  -4.265  -0.354  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.455  -3.226  -0.891  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.371  -0.216  -0.733  0.00  0.00    -0.296 NA
ATOM      7  C   LIG    1        3.161  -1.320   0.238  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.802  -1.286   0.969  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.665  -1.351   0.021  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.000  -0.847  -1.330  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.068   0.260  -1.263  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     12  C   LIG    1        7.127   2.190  -1.241  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1        5.883   2.000  -0.399  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1        5.579   0.555   0.078  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1        4.074   0.904  -0.088  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1        4.531   1.934  -1.158  0.00  0.00    +0.022 C 
ENDBRANCH   6  15
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  S   LIG    1       -1.373  -1.595   2.460  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -0.252  -0.809   2.931  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.192  -2.315   3.419  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.459  -0.500   1.567  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1       -1.930   0.623   0.928  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -2.781   1.498   0.249  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.166   1.269   0.215  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1       -4.682   0.149   0.887  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -3.836  -0.729   1.568  0.00  0.00    +0.029 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.070   2.237  -0.529  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -6.049   2.933   0.418  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -5.815   1.545  -1.673  0.00  0.00    +0.012 C 
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5