REMARK  Name = BDB063860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.926  -3.827   0.505  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.919  -2.682   0.101  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.212  -1.718   0.035  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.441  -2.041   0.456  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.226  -0.537  -0.526  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.487  -0.736  -0.771  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.944  -1.960  -0.417  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.865  -2.332  -0.566  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.635  -1.181   0.424  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.569   0.199   0.668  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.758   0.951   0.655  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.002   0.363   0.420  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.084   1.228   0.439  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.662   2.448   0.683  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.059  -1.026   0.194  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.977   2.643   0.907  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.880  -1.782   0.204  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.287   0.204  -1.349  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.785   1.084  -1.446  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.627   0.337  -0.871  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.726   1.034   0.507  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.944   1.798  -0.054  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.343   1.577  -1.459  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3