REMARK  Name = BDB002292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.754   0.915  -1.280  0.00  0.00    +0.013 C 
ATOM      2  C   LIG    1        2.579   0.770  -0.647  0.00  0.00    -0.044 C 
ATOM      3  C   LIG    1        2.500  -0.032   0.585  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.742  -1.206   0.688  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        1.673  -1.913   1.898  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.359  -1.446   3.018  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.118  -0.283   2.930  0.00  0.00    +0.001 A 
ATOM      8  S   LIG    1        0.906  -1.866  -0.728  0.00  0.00    +0.062 S 
ATOM      9  O   LIG    1        1.881  -2.028  -1.785  0.00  0.00    -0.153 OA
ATOM     10  O   LIG    1        0.115  -2.999  -0.291  0.00  0.00    -0.153 OA
ATOM     11  N   LIG    1       -0.177  -0.646  -1.175  0.00  0.00    -0.162 NA
ATOM     12  C   LIG    1        0.351   0.528  -1.907  0.00  0.00    +0.115 C 
ATOM     13  C   LIG    1        3.188   0.418   1.724  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.305   1.424  -1.110  0.00  0.00    +0.052 C 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1       -1.450  -0.513  -0.404  0.00  0.00    +0.191 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.667  -0.410  -1.366  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -3.993  -0.459  -0.591  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -2.668  -1.540  -2.405  0.00  0.00    +0.009 C 
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  C   LIG    1       -1.391   0.589   0.649  0.00  0.00    +0.326 C 
ATOM     20  O   LIG    1       -0.969   0.422   1.787  0.00  0.00    -0.249 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -1.806   1.791   0.154  0.00  0.00    -0.467 OA
ATOM     22  C   LIG    1       -1.776   2.856   1.108  0.00  0.00    +0.280 C 
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH  11  15
TORSDOF 4