REMARK  Name = BDB015448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.359   1.733   0.014  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.489   2.193  -1.012  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.271   3.325  -0.485  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.515   3.630   0.802  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.352   2.463   1.086  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.716  -0.896  -0.020  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.505  -1.265   0.748  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.563  -0.087   1.069  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.086   0.588  -0.159  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -2.050   0.516  -1.282  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -3.498   0.361  -0.773  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.448  -2.161   1.233  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.924  -0.793   0.807  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.268   1.271  -2.187  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        2.200   2.137  -2.886  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.309   0.498  -2.948  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.240   0.127  -1.228  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.550   0.457  -0.871  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        4.325  -0.446  -0.141  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        3.785  -1.685   0.213  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.483  -2.024  -0.170  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.709  -1.122  -0.898  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  O   LIG    1        5.581  -0.000   0.163  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        6.433  -0.900   0.862  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5