REMARK  Name = BDB001799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.579  -1.142  -1.324  0.00  0.00    -0.176 NA
ATOM      2  C   LIG    1       -2.008  -1.855  -0.162  0.00  0.00    +0.110 C 
ATOM      3  C   LIG    1       -0.573  -1.406   0.083  0.00  0.00    +0.030 C 
ATOM      4  C   LIG    1       -0.487   0.098   0.389  0.00  0.00    +0.077 C 
ATOM      5  C   LIG    1       -1.687   0.866  -0.189  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.137   0.260  -1.513  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.833   0.659  -0.136  0.00  0.00    +0.216 C 
ATOM      8  N   LIG    1        1.945   0.117   0.476  0.00  0.00    -0.315 N 
ATOM      9  H   LIG    1        1.811  -0.353   1.363  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.897   1.506  -1.020  0.00  0.00    -0.276 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.275   0.618   0.172  0.00  0.00    +0.108 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.361  -0.357   0.630  0.00  0.00    +0.049 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.760   0.126   0.320  0.00  0.00    -0.072 C 
ATOM     14  C   LIG    1        6.319   1.213   1.209  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1        7.593   1.859   0.658  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        8.553   0.810   0.110  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        7.895  -0.010  -0.999  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.483  -0.410  -0.680  0.00  0.00    -0.028 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  S   LIG    1       -4.179  -1.534  -1.740  0.00  0.00    +0.064 S 
ATOM     20  O   LIG    1       -4.532  -0.831  -2.954  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -4.330  -2.969  -1.636  0.00  0.00    -0.153 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.570  -3.014   0.981  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1       -5.735  -1.588   0.596  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1       -5.225  -0.883  -0.524  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -5.719   0.410  -0.401  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -5.580   1.626  -1.244  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1       -6.452   0.402   0.759  0.00  0.00    -0.269 N 
ATOM     28  C   LIG    1       -7.181   1.504   1.346  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -6.461  -0.785   1.385  0.00  0.00    -0.174 NA
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6