REMARK  Name = BDB014843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.214  -0.461   0.236  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.455  -1.439   0.339  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.806  -2.430   0.823  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.304  -2.447   0.702  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.641  -1.230   0.794  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.167  -1.302   0.766  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.575   0.037   0.513  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.231   0.436   0.278  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.162   1.763   0.119  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.426   2.203   0.226  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.692   3.612   0.075  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.308   1.204   0.486  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.772   1.288   0.682  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.253  -0.009   1.368  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.710  -3.510   0.519  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.177  -0.297   0.052  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.805   0.942  -0.096  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.192   1.041  -0.276  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.004  -0.101  -0.316  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.377  -1.346  -0.169  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.990  -1.440   0.012  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.457   0.003  -0.504  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.247   0.840   0.286  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1        7.588   0.985   0.163  0.00  0.00    -0.221 NA
ATOM     25  C   LIG    1        8.183   0.260  -0.796  0.00  0.00    +0.212 A 
ATOM     26  C   LIG    1        7.512  -0.605  -1.641  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        6.131  -0.731  -1.488  0.00  0.00    +0.015 A 
BRANCH  25  28
ATOM     28  O   LIG    1        9.532   0.434  -0.890  0.00  0.00    -0.492 OA
ATOM     29  H   LIG    1        9.856  -0.123  -1.611  0.00  0.00    +0.294 HD
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4