REMARK  Name = BDB057429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766   0.691   0.394  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        3.017  -0.080  -0.300  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1        1.871  -0.256   0.448  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        1.744  -1.087   1.007  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        3.132   0.845  -1.103  0.00  0.00    -0.274 OA
BRANCH   2  10
ATOM      6  O   LIG    1        7.112   0.327  -1.302  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        6.334  -0.219  -0.521  0.00  0.00    +0.228 C 
ATOM      8  N   LIG    1        5.236  -0.887  -1.005  0.00  0.00    -0.302 N 
ATOM      9  H   LIG    1        5.037  -0.632  -1.966  0.00  0.00    +0.150 HD
ATOM     10  C   LIG    1        4.088  -1.188  -0.152  0.00  0.00    +0.173 C 
ATOM     11  C   LIG    1        4.515  -1.453   1.303  0.00  0.00    +0.113 C 
ATOM     12  N   LIG    1        5.405  -0.407   1.815  0.00  0.00    -0.306 NA
ATOM     13  H   LIG    1        5.684  -0.617   2.773  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        6.622  -0.317   0.981  0.00  0.00    +0.177 C 
ENDBRANCH   2  10
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.037   0.612  -0.908  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.361   1.212  -0.765  0.00  0.00    -0.227 N 
ATOM     17  C   LIG    1       -1.505   2.589  -0.851  0.00  0.00    +0.267 A 
ATOM     18  O   LIG    1       -0.592   3.385  -1.050  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1       -2.879   3.103  -0.691  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1       -3.891   2.283  -0.408  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -3.567   0.847  -0.255  0.00  0.00    +0.092 A 
ATOM     22  N   LIG    1       -2.383   0.347  -0.434  0.00  0.00    -0.168 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.691  -0.063   0.104  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.706  -1.355  -0.437  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.740  -2.238  -0.121  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.758  -1.837   0.743  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.741  -0.558   1.298  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.708   0.329   0.984  0.00  0.00    +0.010 A 
ENDBRANCH  21  23
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5