REMARK  Name = BDB002514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.699  -0.246  -1.443  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        0.321  -1.571  -1.899  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.990   0.787  -2.415  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -0.870  -1.946   0.802  0.00  0.00    +0.030 C 
ATOM      5  C   LIG    1       -0.739  -0.431   0.949  0.00  0.00    +0.099 C 
ATOM      6  N   LIG    1       -0.470   0.283  -0.349  0.00  0.00    -0.200 N 
ATOM      7  C   LIG    1       -1.739   0.741  -0.836  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -2.686   0.685   0.188  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -3.986   1.130  -0.000  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.331   1.649  -1.248  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.375   1.737  -2.270  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.063   1.296  -2.062  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.073   0.174   1.453  0.00  0.00    +0.061 C 
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1        2.157  -0.430  -0.477  0.00  0.00    +0.137 A 
ATOM     15  C   LIG    1        2.670   0.608   0.334  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1        3.937   0.381   1.129  0.00  0.00    +0.102 A 
ATOM     17  N   LIG    1        4.307   1.444   1.858  0.00  0.00    -0.191 NA
ATOM     18  S   LIG    1        3.186   2.631   1.562  0.00  0.00    +0.117 S 
ATOM     19  C   LIG    1        4.622  -0.857   1.078  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        4.063  -1.847   0.253  0.00  0.00    +0.004 A 
ATOM     21  N   LIG    1        2.164   1.837   0.527  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1        2.881  -1.644  -0.495  0.00  0.00    +0.031 A 
ENDBRANCH   1  14
TORSDOF 2