REMARK  Name = BDB016130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.979   2.045   1.866  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.201   0.817   0.978  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.904   0.383   0.479  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.285   1.169   0.286  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.843  -0.535  -0.592  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -2.854  -1.467  -0.927  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.678  -2.308  -2.047  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.511  -2.290  -2.804  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.481  -1.438  -2.443  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.082  -1.675  -0.264  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.722  -2.334  -0.691  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.593  -1.212   0.903  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.716  -1.599   1.242  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.625  -0.584  -1.340  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -3.806  -0.306   1.791  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.551   0.254  -1.038  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        1.228   0.139   0.114  0.00  0.00    +0.010 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.417   0.944   0.398  0.00  0.00    -0.000 A 
ATOM     19  C   LIG    1        3.689   0.748  -0.164  0.00  0.00    +0.095 A 
ATOM     20  C   LIG    1        4.747   1.611   0.167  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.549   2.659   1.064  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.297   2.853   1.637  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.240   2.002   1.306  0.00  0.00    +0.010 A 
BRANCH  19  24
ATOM     24  S   LIG    1        4.048  -0.595  -1.283  0.00  0.00    -0.005 S 
ATOM     25  O   LIG    1        3.210  -0.439  -2.456  0.00  0.00    -0.170 OA
ATOM     26  O   LIG    1        5.494  -0.650  -1.432  0.00  0.00    -0.170 OA
ATOM     27  C   LIG    1        3.588  -2.077  -0.427  0.00  0.00    +0.200 C 
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH  14  16
TORSDOF 3