REMARK  Name = BDB051481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.893   0.279   0.191  0.00  0.00    -0.115 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.566   0.105   0.585  0.00  0.00    +0.083 C 
ATOM      3  S   LIG    1       -4.821  -0.602  -0.463  0.00  0.00    +0.087 S 
ATOM      4  O   LIG    1       -4.530  -2.226  -0.595  0.00  0.00    -0.137 OA
ATOM      5  N   LIG    1       -5.971  -0.332   0.712  0.00  0.00    -0.223 N 
ATOM      6  C   LIG    1       -5.502   0.333   1.817  0.00  0.00    +0.252 C 
ATOM      7  O   LIG    1       -6.150   0.657   2.801  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -4.068   0.604   1.714  0.00  0.00    +0.093 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -7.308  -0.896   0.658  0.00  0.00    +0.134 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -8.414   0.150   0.548  0.00  0.00    +0.140 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -8.449   0.802  -0.810  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -7.571   0.724  -1.658  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -9.604   1.513  -0.945  0.00  0.00    -0.468 OA
ATOM     14  C   LIG    1       -9.733   2.186  -2.198  0.00  0.00    +0.280 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.500  -1.369  -0.480  0.00  0.00    +0.075 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.003  -1.547  -0.718  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.825  -1.600   0.575  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.289  -1.993   0.348  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.084  -0.941  -0.430  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.550  -1.330  -0.655  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.391  -1.522   0.611  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.433  -0.325   1.567  0.00  0.00    -0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.926   0.992   0.958  0.00  0.00    -0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        7.357   0.910   0.418  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1        7.188   2.879  -1.195  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        7.918   2.268  -0.009  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 16