REMARK  Name = BDB035054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.178  -2.626  -1.065  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.384  -3.217  -0.454  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.391  -1.442  -1.511  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.754  -1.098  -1.308  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.872   0.141  -1.907  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        3.047   0.884  -1.961  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.177   0.309  -1.357  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        4.082  -0.955  -0.735  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.670   0.509  -2.423  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.877  -1.679  -0.689  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.263  -0.483  -2.173  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        2.704  -2.900  -0.095  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        3.802  -3.414   0.652  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.498   1.046  -1.370  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.871   1.498  -0.036  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.710   0.758   0.720  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        6.837   1.473   1.841  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        6.092   2.666   1.805  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.480   2.658   0.574  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -1.817  -2.897  -0.962  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -1.997  -4.099  -0.171  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.391  -2.817  -2.290  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -1.962  -1.339   1.304  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.428  -1.544   0.003  0.00  0.00    +0.151 A 
ATOM     25  C   LIG    1       -3.399  -0.697  -0.547  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -3.890   0.370   0.207  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -3.410   0.591   1.501  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.442  -0.256   2.046  0.00  0.00    +0.049 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -1.462  -2.907   2.925  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -0.977  -2.134   1.824  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  26  31
ATOM     31  C   LIG    1       -4.879   1.242  -0.346  0.00  0.00    -0.066 C 
ATOM     32  C   LIG    1       -5.711   1.973  -0.812  0.00  0.00    -0.094 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -6.702   2.842  -1.375  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -8.153   2.573  -1.075  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -7.469   3.757  -0.456  0.00  0.00    +0.017 C 
ENDBRANCH  32  33
ENDBRANCH  26  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 9