REMARK  Name = BDB050004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -0.585  -1.475  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        0.743  -1.313  -0.295  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.092  -0.864   0.739  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -0.805   0.347   0.567  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -1.632   0.759   1.631  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -1.738  -0.004   2.811  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.028  -1.188   2.955  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.672   1.055  -0.588  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -0.206  -1.615   1.921  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.144   0.590  -1.563  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.444   2.015   1.591  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.152   2.353   2.534  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.381   2.790   0.472  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -2.919   3.642   0.428  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -1.792   2.517  -0.312  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   1  17
ATOM     16  C   LIG    1        3.186  -0.507  -2.419  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        1.769  -1.036  -2.588  0.00  0.00    +0.033 C 
ENDBRANCH   1  17
TORSDOF 2