REMARK  Name = BDB054839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.272  -0.883  -4.683  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.677   0.316  -3.862  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1        1.439   0.062  -2.752  0.00  0.00    -0.411 OA
ATOM      4  C   LIG    1        1.976   1.293  -2.485  0.00  0.00    +0.249 A 
ATOM      5  N   LIG    1        1.600   2.208  -3.355  0.00  0.00    -0.106 NA
ATOM      6  N   LIG    1        0.764   1.571  -4.251  0.00  0.00    -0.101 NA
BRANCH   4   7
ATOM      7  C   LIG    1        2.843   1.409  -1.319  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.153   0.300  -0.516  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        3.974   0.444   0.603  0.00  0.00    +0.163 A 
ATOM     10  O   LIG    1        4.204  -0.687   1.344  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1        4.760  -0.368   2.625  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1        5.875   0.656   2.488  0.00  0.00    +0.270 C 
ATOM     13  O   LIG    1        5.364   1.894   1.980  0.00  0.00    -0.485 OA
ATOM     14  C   LIG    1        4.524   1.690   0.917  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        4.216   2.800   0.137  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.382   2.659  -0.976  0.00  0.00    +0.017 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.486  -2.123  -3.378  0.00  0.00    +0.114 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -3.077  -0.817  -0.149  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1       -1.707  -1.023   0.067  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -0.874  -1.449  -0.972  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.389  -1.669  -2.256  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1       -2.758  -1.466  -2.475  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.590  -1.042  -1.435  0.00  0.00    +0.009 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.344  -1.204   2.004  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -3.955  -0.364   0.940  0.00  0.00    -0.001 A 
ATOM     26  C   LIG    1       -4.435   0.960   0.926  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -5.271   1.436   1.938  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.646   0.599   2.984  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.185  -0.717   3.018  0.00  0.00    +0.019 A 
BRANCH  24  31
ATOM     30  N   LIG    1       -3.562  -3.675   2.177  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1       -3.907  -2.570   2.083  0.00  0.00    +0.100 C 
ENDBRANCH  24  31
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6