REMARK  Name = BDB060108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.281   0.142  -4.029  0.00  0.00    -0.149 NA
ATOM      2  N   LIG    1       -0.965   0.282  -3.911  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        2.814  -0.150  -0.652  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        2.247  -1.299  -1.223  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.409  -1.201  -2.337  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.102   0.047  -2.889  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1        1.689   1.192  -2.341  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.528   1.097  -1.227  0.00  0.00    +0.010 A 
BRANCH   3  11
ATOM      9  C   LIG    1        5.740  -0.673  -0.919  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        5.073  -0.496   0.419  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        3.686  -0.250   0.525  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        3.121  -0.094   1.804  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.905  -0.182   2.955  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.269  -0.429   2.845  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.849  -0.586   1.587  0.00  0.00    +0.004 A 
ENDBRANCH   3  11
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1       -1.561   0.349  -2.636  0.00  0.00    +0.086 A 
ATOM     17  C   LIG    1       -1.760   1.584  -2.010  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -2.381   1.657  -0.761  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -2.830   0.492  -0.124  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1       -2.658  -0.742  -0.763  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.038  -0.808  -2.014  0.00  0.00    +0.030 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.509   0.574   1.224  0.00  0.00    +0.059 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.972   1.012   1.144  0.00  0.00    +0.146 C 
ATOM     24  C   LIG    1       -5.514   1.312   2.526  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -4.958   2.015   3.361  0.00  0.00    -0.274 OA
ATOM     26  N   LIG    1       -6.715   0.712   2.749  0.00  0.00    -0.246 N 
ATOM     27  H   LIG    1       -7.173   0.798   3.643  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1       -7.139  -0.225   1.870  0.00  0.00    +0.279 C 
ATOM     29  O   LIG    1       -8.100  -0.957   2.026  0.00  0.00    -0.263 OA
ATOM     30  S   LIG    1       -6.083  -0.283   0.485  0.00  0.00    -0.054 S 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 5