REMARK  Name = BDB052286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469   2.838  -0.108  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.021   1.528   0.456  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -1.280   0.960   0.213  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1       -1.469  -0.269   0.834  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.694  -0.945   0.673  0.00  0.00    +0.140 A 
ATOM      6  N   LIG    1       -3.646  -0.309  -0.054  0.00  0.00    -0.211 NA
ATOM      7  C   LIG    1       -3.388   0.879  -0.627  0.00  0.00    +0.165 A 
ATOM      8  S   LIG    1       -0.077  -0.689   1.753  0.00  0.00    -0.087 S 
ATOM      9  N   LIG    1       -2.237   1.550  -0.542  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        0.789   0.703   1.264  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.461   1.487  -1.410  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.348   2.709  -2.044  0.00  0.00    +0.127 A 
ATOM     13  N   LIG    1       -5.326   3.296  -2.776  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1       -6.469   2.618  -2.892  0.00  0.00    +0.213 A 
ATOM     15  N   LIG    1       -6.712   1.440  -2.314  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1       -5.699   0.901  -1.594  0.00  0.00    +0.127 A 
BRANCH  14  17
ATOM     17  N   LIG    1       -7.486   3.196  -3.619  0.00  0.00    -0.327 N 
ATOM     18  H   LIG    1       -8.376   2.840  -3.302  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.363   4.199  -3.638  0.00  0.00    +0.145 HD
ENDBRANCH  14  17
ENDBRANCH   7  11
BRANCH   5  20
ATOM     20  N   LIG    1       -2.997  -2.178   1.251  0.00  0.00    -0.310 N 
ATOM     21  C   LIG    1       -2.072  -3.294   0.966  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1       -2.823  -4.503   0.379  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1       -3.887  -4.982   1.213  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -4.574  -3.933   1.916  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1       -4.422  -2.551   1.265  0.00  0.00    +0.134 C 
ENDBRANCH   5  20
BRANCH  10  26
ATOM     26  C   LIG    1        2.205   0.897   1.752  0.00  0.00    +0.127 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.152  -0.029   1.112  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        3.286   0.224  -0.339  0.00  0.00    +0.102 C 
ATOM     29  C   LIG    1        4.609  -0.302  -0.925  0.00  0.00    +0.124 C 
ATOM     30  N   LIG    1        5.782   0.414  -0.321  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.536   0.846   1.092  0.00  0.00    +0.124 C 
ATOM     32  C   LIG    1        4.469  -0.023   1.782  0.00  0.00    +0.102 C 
BRANCH  30  33
ATOM     33  S   LIG    1        7.266  -0.362  -0.621  0.00  0.00    +0.029 S 
ATOM     34  O   LIG    1        7.505  -1.288   0.464  0.00  0.00    -0.158 OA
ATOM     35  O   LIG    1        7.264  -0.800  -2.000  0.00  0.00    -0.158 OA
ATOM     36  C   LIG    1        8.413   0.994  -0.488  0.00  0.00    +0.215 C 
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 6