REMARK  Name = BDB029344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.185  -1.168  -0.360  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.123  -1.165   0.679  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.239  -2.034   0.697  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1        2.368  -2.911  -0.399  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.445  -2.924  -1.445  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.359  -2.054  -1.424  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.357   0.598   0.534  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1       -0.936  -0.322  -0.408  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -1.547  -0.391  -1.218  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -0.831   0.851   1.611  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -4.965   3.939   1.312  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1       -4.284   2.881   0.497  0.00  0.00    +0.042 A 
ATOM     13  N   LIG    1       -4.837   2.560  -0.692  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -4.248   1.609  -1.446  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1       -3.125   0.969  -1.074  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -2.605   1.322   0.128  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -3.143   2.275   0.960  0.00  0.00    +0.056 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -4.871   1.256  -2.773  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -5.182  -0.185  -3.112  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -6.303   0.771  -2.832  0.00  0.00    +0.012 C 
ENDBRANCH  14  18
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        3.313  -2.015   1.892  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1        2.815  -1.800   3.349  0.00  0.00    +0.174 C 
ATOM     23  O   LIG    1        3.587  -2.939   3.817  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1        3.731  -3.403   2.455  0.00  0.00    +0.174 C 
BRANCH  21  25
ATOM     25  C   LIG    1        4.548  -1.173   1.518  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.250   0.281   1.372  0.00  0.00    +0.134 A 
ATOM     27  N   LIG    1        4.085   0.960   0.192  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1        4.180   0.458  -1.151  0.00  0.00    +0.151 C 
ATOM     29  C   LIG    1        3.816   2.251   0.532  0.00  0.00    +0.224 A 
ATOM     30  N   LIG    1        3.836   2.374   1.837  0.00  0.00    -0.138 NA
ATOM     31  N   LIG    1        4.112   1.137   2.365  0.00  0.00    -0.135 NA
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH   3  21
TORSDOF 6