REMARK  Name = BDB029723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.211   0.542  -1.481  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.200   0.713  -0.822  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -3.827   1.883  -0.248  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.320   2.746  -0.420  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.575   1.836   0.271  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.914   2.804   0.607  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.168   0.391   0.380  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -0.693   0.158   0.072  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.330  -1.000   0.885  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.710  -1.888   0.661  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.764  -2.975   1.231  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.365  -1.318   1.849  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.297  -0.116   1.824  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -3.132  -0.317  -0.580  0.00  0.00    +0.114 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        1.711  -1.516  -0.316  0.00  0.00    +0.082 A 
ATOM     16  C   LIG    1        2.524  -0.398  -0.354  0.00  0.00    +0.079 A 
ATOM     17  N   LIG    1        3.324  -0.518  -1.497  0.00  0.00    -0.239 N 
ATOM     18  C   LIG    1        4.251   0.462  -1.857  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        4.413   1.553  -1.092  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.623   1.681   0.119  0.00  0.00    +0.004 A 
ATOM     21  N   LIG    1        3.065  -1.675  -2.157  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        2.723   0.745   0.477  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        2.135  -2.282  -1.419  0.00  0.00    +0.148 A 
ENDBRANCH  10  15
TORSDOF 1