REMARK  Name = BDB054485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.138   1.630   0.712  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.889   0.309   1.100  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.816  -0.414   0.533  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -1.328  -1.744   0.707  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -0.231  -1.926  -0.146  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -0.034  -0.704  -0.782  0.00  0.00    -0.338 N 
ATOM      7  C   LIG    1        0.432  -3.172  -0.217  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.574  -3.535  -1.114  0.00  0.00    +0.068 C 
ATOM      9  N   LIG    1       -0.016  -4.181   0.585  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1       -1.058  -3.989   1.413  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -1.755  -2.805   1.517  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.010   0.210  -0.414  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -1.249   1.536  -0.816  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.321   2.231  -0.240  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -4.496   3.562   0.999  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.207   2.212   1.338  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1        1.032  -0.393  -1.724  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.355   0.007  -1.061  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.325   1.414  -0.452  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.696   1.893   0.034  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.193   1.104   1.151  0.00  0.00    -0.330 NA
ATOM     22  H   LIG    1        5.090   1.476   1.460  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        4.370   0.144   0.861  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 6