REMARK  Name = BDB056234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.556   0.868  -2.375  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.166   0.634  -1.231  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -0.087   1.038  -0.784  0.00  0.00    -0.289 N 
ENDROOT
BRANCH   3   4
ATOM      4  C   LIG    1       -0.917   1.842  -1.690  0.00  0.00    +0.150 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -0.717   3.302  -1.404  0.00  0.00    +0.007 A 
ATOM      6  S   LIG    1       -1.968   4.225  -0.681  0.00  0.00    -0.100 S 
ATOM      7  C   LIG    1       -1.022   5.648  -0.707  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        0.218   5.435  -1.264  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        0.393   4.082  -1.671  0.00  0.00    +0.013 A 
ENDBRANCH   4   5
ENDBRANCH   3   4
BRANCH   3  10
ATOM     10  C   LIG    1       -0.618   0.805   0.566  0.00  0.00    +0.182 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.834  -0.111   0.516  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -1.641  -1.339  -0.062  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1       -0.757  -1.575  -0.489  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -2.636  -2.271  -0.202  0.00  0.00    +0.259 A 
ATOM     15  O   LIG    1       -2.446  -3.344  -0.761  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.944  -1.892   0.356  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1       -4.049  -0.627   0.942  0.00  0.00    +0.078 A 
ATOM     18  C   LIG    1       -5.280  -0.240   1.474  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -6.381  -1.102   1.421  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -6.259  -2.361   0.833  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.036  -2.762   0.296  0.00  0.00    +0.015 A 
ATOM     22  N   LIG    1       -2.967   0.268   1.012  0.00  0.00    -0.232 NA
ENDBRANCH  10  11
ENDBRANCH   3  10
BRANCH   2  23
ATOM     23  C   LIG    1        2.044  -0.120  -0.248  0.00  0.00    +0.100 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.376  -0.534  -0.873  0.00  0.00    +0.044 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.221  -1.306   0.110  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1        5.077  -0.633   0.992  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.840  -1.346   1.918  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.750  -2.735   1.974  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.899  -3.414   1.104  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.136  -2.703   0.177  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 7