REMARK  Name = BDB036545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -1.129  -0.706  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.047  -0.442   0.119  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.746  -0.241   1.472  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.527  -0.732   1.935  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -0.408  -1.395   1.160  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -1.464  -1.665   2.075  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.164  -1.238   3.307  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.076  -0.639   3.212  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -0.099  -1.613  -0.195  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.601  -1.897  -2.912  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.520  -1.280  -2.018  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        3.240   0.012  -0.471  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        3.336  -0.221  -1.452  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.358   0.699  -0.020  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1        5.308   0.915  -0.948  0.00  0.00    -0.220 NA
ATOM     16  C   LIG    1        6.423   1.576  -0.574  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        7.471   1.805  -1.621  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1        6.614   2.030   0.712  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        5.593   1.767   1.591  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1        4.469   1.112   1.251  0.00  0.00    -0.223 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.698  -2.277   1.891  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -3.281  -2.281   2.726  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.639  -2.135   0.512  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.003  -2.428   0.903  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.005  -2.938  -0.514  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.586  -0.412   0.081  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.273  -0.003  -1.221  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -3.167   1.357  -1.524  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -3.425   2.311  -0.546  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.780   1.911   0.743  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -3.859   0.551   1.072  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -2.990  -0.876  -2.234  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.172  -1.179  -2.979  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -4.209   0.099   2.317  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.181   1.032   3.393  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8