REMARK  Name = BDB029539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.142   0.779   0.656  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        4.988   0.390   0.707  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        4.532  -0.614   1.493  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        5.112  -1.039   2.201  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        3.179  -0.686   1.506  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1        2.521  -1.284   2.341  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        2.639   0.072   0.306  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        1.374   0.876   0.659  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        0.117   0.005   0.771  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -0.022  -0.831  -0.421  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -0.776  -0.435  -1.533  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -0.431  -0.708  -2.681  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.107  -1.722  -0.650  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.390  -0.916  -0.855  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        3.825   1.002  -0.022  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1       -1.993   0.318  -1.300  0.00  0.00    +0.082 A 
ATOM     17  C   LIG    1       -2.998   0.101  -0.374  0.00  0.00    +0.079 A 
ATOM     18  N   LIG    1       -3.964   1.092  -0.582  0.00  0.00    -0.239 N 
ATOM     19  C   LIG    1       -5.115   1.179   0.204  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1       -5.334   0.290   1.185  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.360  -0.765   1.401  0.00  0.00    +0.004 A 
ATOM     22  N   LIG    1       -3.619   1.903  -1.613  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -3.244  -0.860   0.653  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -2.466   1.406  -2.060  0.00  0.00    +0.148 A 
ENDBRANCH  11  16
TORSDOF 1