REMARK  Name = BDB057010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.284  -2.992  -2.548  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -2.264  -1.918  -1.499  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.016  -1.639  -0.964  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.886  -0.716  -0.041  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -2.079  -0.005   0.400  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -3.302  -0.303  -0.146  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -4.213   0.527   0.470  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -3.461   1.277   1.359  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -2.130   0.941   1.314  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -3.389  -1.282  -1.117  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.745   0.645   0.261  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.562   1.519   0.941  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.824   1.307   0.468  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.685   1.772   0.739  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.885   0.352  -0.474  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -6.617  -0.049  -0.598  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.325  -0.378   0.540  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.209   0.361   1.231  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.581  -0.849   0.326  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        2.061  -2.059  -0.794  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.675  -2.035  -0.432  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        3.894  -1.120   0.513  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        2.726  -0.431   0.983  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.293  -0.922   1.006  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.758   0.400   0.460  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1        6.062   0.558  -0.891  0.00  0.00    +0.114 A 
ATOM     27  N   LIG    1        6.497   1.715  -1.441  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        6.634   2.769  -0.611  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        6.360   2.721   0.745  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.917   1.518   1.287  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5