REMARK  Name = BDB005646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580   1.292  -0.296  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.063  -0.018  -0.300  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.936  -1.047  -0.693  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        0.498  -2.376  -0.694  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.119  -3.123  -0.972  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.761  -2.762  -0.336  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -1.703  -1.688   0.066  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.101  -2.114   0.434  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.906  -1.005   1.123  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -3.662   0.343   0.454  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -2.232   0.601   0.427  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -1.963   1.520   0.070  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -1.091  -3.944  -0.358  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.254  -0.786  -1.089  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.738   0.526  -1.120  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.326  -0.394   0.079  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        1.889   1.563  -0.718  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        0.097   2.757   1.406  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -0.199   2.369   0.061  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        4.156   0.814  -1.538  0.00  0.00    +0.113 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.060   0.774  -0.397  0.00  0.00    -0.326 NA
ATOM     22  H   LIG    1        4.990  -0.137   0.053  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        4.748   1.451   0.298  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3