REMARK  Name = BDB064028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176  -0.889  -0.984  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.362  -2.182  -1.330  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.201  -2.609  -1.675  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.816  -2.843  -1.210  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.056  -4.011  -1.441  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.733  -1.774  -0.730  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.020  -2.018  -0.453  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.036  -0.590  -0.622  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.013  -1.049   0.040  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.021   0.291  -0.378  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.022   1.150   0.110  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.015   0.707   0.986  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.934   1.666   1.381  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.638   2.812   0.812  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.007  -0.643   1.385  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.271   2.825  -0.217  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.013  -1.506   0.905  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.181   0.024  -1.020  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.884   0.905  -0.604  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -5.978   1.511   0.843  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -4.548   1.215   0.878  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -4.312  -0.228   1.001  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1       -2.878  -0.594   0.636  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.596  -0.273  -0.836  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1       -3.443   0.901  -1.349  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -3.818   1.858  -0.221  0.00  0.00    +0.086 C 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3