REMARK  Name = BDB026615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.391   1.974   1.102  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.679   1.200   0.544  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -0.620  -0.213   0.399  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.737  -0.892  -0.165  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -1.660  -2.298  -0.307  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.535  -3.025   0.082  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.551  -2.365   0.628  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.881  -0.143  -0.566  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1       -2.903   1.249  -0.394  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.506  -0.981   0.786  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.813   1.911   0.154  0.00  0.00    +0.025 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.123  -0.784  -1.159  0.00  0.00    +0.047 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.068  -1.296  -0.075  0.00  0.00    +0.125 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.286  -1.932  -0.680  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1       -6.503  -2.144  -1.860  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.185  -2.291   0.257  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -7.920  -2.690  -0.254  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        1.422   2.847   0.090  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1        2.271   3.679   0.921  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        0.674   3.415  -1.012  0.00  0.00    -0.150 OA
BRANCH  18  24
ATOM     21  C   LIG    1        4.127  -0.393  -1.681  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        4.517   0.290  -0.527  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.692   1.280   0.017  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        2.469   1.577  -0.593  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1        2.083   0.918  -1.761  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        2.910  -0.072  -2.293  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.109  -1.705  -1.764  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        4.835  -1.381  -2.307  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  18  24
ENDBRANCH   1  18
BRANCH   1  29
ATOM     29  C   LIG    1        0.733   1.844   2.526  0.00  0.00    +0.251 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.488   3.147   3.258  0.00  0.00    +0.324 C 
ATOM     31  O   LIG    1       -0.296   4.033   2.958  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1        1.217   3.245   4.391  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1        0.983   4.135   4.734  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 11