REMARK  Name = BDB049853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.847  -1.044   0.740  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        1.570  -1.642  -0.275  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        2.600  -0.757  -0.620  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.475  -1.116  -1.669  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        3.314  -2.341  -2.323  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.294  -3.209  -1.954  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.484   0.376   0.238  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.404  -2.876  -0.928  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.389   0.181   1.048  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.280   1.557   0.280  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1        4.594   1.641   0.525  0.00  0.00    +0.080 C 
ATOM     12  C   LIG    1        5.299   2.949   0.557  0.00  0.00    +0.258 C 
ATOM     13  O   LIG    1        4.785   4.037   0.355  0.00  0.00    -0.269 OA
ATOM     14  N   LIG    1        6.616   2.757   0.850  0.00  0.00    -0.243 N 
ATOM     15  H   LIG    1        7.252   3.534   0.918  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1        7.044   1.489   1.069  0.00  0.00    +0.283 C 
ATOM     17  O   LIG    1        8.184   1.159   1.349  0.00  0.00    -0.262 OA
ATOM     18  S   LIG    1        5.707   0.374   0.890  0.00  0.00    -0.026 S 
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  C   LIG    1       -0.303  -1.619   1.432  0.00  0.00    +0.157 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -4.040   0.249   0.260  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1       -3.293  -0.498  -0.661  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.089  -1.100  -0.287  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.599  -0.966   1.019  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -2.344  -0.221   1.942  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.549   0.379   1.566  0.00  0.00    +0.004 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.143   1.971  -1.213  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.349   0.914  -0.125  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -6.398  -0.114  -0.555  0.00  0.00    +0.012 C 
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4