REMARK  Name = BDB018679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        6.967  -0.494   0.370  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1        5.472  -0.541   0.377  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1        4.994   0.890   0.688  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        4.552   1.562  -0.613  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1        5.282   2.293  -1.278  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        3.301   1.238  -1.071  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        3.067   1.575  -1.998  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.331   0.587  -0.303  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.564   0.372   1.057  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        1.580  -0.252   1.827  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.385  -0.666   1.232  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        0.139  -0.450  -0.135  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        1.131   0.191  -0.895  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        3.826   0.905   1.681  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        6.235   1.560   1.284  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        7.394   0.914   0.543  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -1.125  -0.881  -0.752  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -2.365  -0.435  -0.249  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -3.600  -0.814  -0.806  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -3.546  -1.678  -1.911  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.333  -2.138  -2.432  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.131  -1.742  -1.855  0.00  0.00    +0.008 A 
BRANCH  19  23
ATOM     23  N   LIG    1       -4.808  -0.358  -0.292  0.00  0.00    -0.330 N 
ATOM     24  C   LIG    1       -6.018  -0.337  -1.120  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1       -6.963   0.770  -0.659  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -7.375   0.607   0.801  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -6.316  -0.108   1.636  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -4.906   0.113   1.094  0.00  0.00    +0.105 C 
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  30
ATOM     29  N   LIG    1        8.395  -2.264  -0.663  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1        7.736  -1.442  -0.183  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 3