REMARK  Name = BDB047635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.204   3.354   0.078  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.794   2.199  -0.066  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        0.480   1.907   0.306  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        0.965   2.736   0.629  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        1.241   0.724   0.203  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        0.759  -0.564  -0.106  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.703  -1.603  -0.260  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        3.072  -1.395  -0.091  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.533  -0.135   0.250  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -0.577  -0.970  -0.182  0.00  0.00    -0.337 N 
ATOM     11  H   LIG    1       -0.749  -1.524  -1.021  0.00  0.00    +0.146 HD
ATOM     12  CA  LIG    1       -1.665  -0.067   0.192  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        2.624   0.912   0.399  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.663   1.156  -0.693  0.00  0.00    +0.120 C 
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1       -2.989  -0.847   0.059  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.942  -2.030   0.859  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1       -1.998  -2.284   0.901  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  12  15
TORSDOF 2