REMARK  Name = BDB061084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.503  -1.163  -2.644  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        4.099  -1.207  -1.478  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1        2.611  -1.222  -1.179  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1        1.872   0.070  -0.769  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1        0.735  -0.544  -0.061  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        1.129  -1.805   0.299  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -0.136   0.297   0.579  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1        0.196   1.470   1.038  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        1.532   1.783   0.944  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        2.425   1.162   0.137  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        3.790   1.586   0.253  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        4.898   0.822   0.600  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        6.093   1.614   0.661  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.871   2.929   0.332  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.859  -0.658   0.821  0.00  0.00    +0.140 C 
ATOM     16  S   LIG    1        4.240   3.220  -0.063  0.00  0.00    -0.097 S 
ATOM     17  N   LIG    1        2.235  -2.297  -0.184  0.00  0.00    -0.261 NA
ATOM     18  N   LIG    1        5.033  -1.245  -0.484  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        5.970  -1.202  -0.866  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  20
ATOM     20  N   LIG    1       -1.413  -0.141   0.766  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1       -1.967   0.583   1.212  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.142  -0.893  -0.238  0.00  0.00    +0.142 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.574  -1.050   0.180  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.512  -0.032   0.034  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.381   1.311  -0.584  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.693   1.933  -0.107  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.632   0.876   0.197  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.832  -0.212   0.429  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.280  -1.393   0.984  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.355  -2.422   1.157  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.022  -2.244   0.761  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.164  -3.260   0.935  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3