REMARK  Name = BDB002132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.304  -0.215   0.665  0.00  0.00    +0.070 C 
ATOM      2  C   LIG    1        0.367   0.739  -0.502  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1       -1.045   1.335  -0.521  0.00  0.00    +0.157 C 
ATOM      4  N   LIG    1       -1.833   0.371   0.294  0.00  0.00    -0.115 N 
ATOM      5  N   LIG    1       -0.892  -0.491   1.092  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.003  -2.743   2.924  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        3.795  -2.062   2.350  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1        3.909  -1.261   1.208  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        2.780  -0.649   0.652  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.522  -0.841   1.230  0.00  0.00    -0.002 A 
ATOM     11  C   LIG    1        1.403  -1.654   2.363  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.532  -2.264   2.917  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   3  13
ATOM     13  C   LIG    1       -1.200   2.756  -0.004  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -0.472   3.304   1.060  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1       -0.697   4.614   1.498  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -1.671   5.397   0.883  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.423   4.870  -0.161  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.193   3.563  -0.595  0.00  0.00    +0.009 A 
BRANCH  14  19
ATOM     19  O   LIG    1        0.478   2.560   1.699  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1        0.636   2.950   2.576  0.00  0.00    +0.292 HD
ENDBRANCH  14  19
ENDBRANCH   3  13
BRANCH   4  21
ATOM     21  S   LIG    1       -3.171  -0.384  -0.467  0.00  0.00    +0.089 S 
ATOM     22  O   LIG    1       -3.884  -1.205   0.490  0.00  0.00    -0.149 OA
ATOM     23  O   LIG    1       -3.871   0.612  -1.257  0.00  0.00    -0.149 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.372  -1.496  -1.613  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -2.328  -1.186  -2.976  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -1.703  -2.067  -3.859  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -1.136  -3.251  -3.382  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.199  -3.564  -2.023  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -1.824  -2.690  -1.135  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
ENDBRANCH   4  21
TORSDOF 5