REMARK  Name = BDB047162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.991   0.869  -0.071  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.161   0.682   0.707  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.138   1.686   0.817  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.925   2.907   0.167  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.221   3.103  -0.602  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.173   2.088  -0.723  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        3.735  -1.453  -0.622  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1        3.575  -1.873   0.281  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        3.035  -0.298  -0.916  0.00  0.00    +0.304 C 
ATOM     10  N   LIG    1        1.910  -0.198  -0.126  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        1.653  -1.036   0.371  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.397   0.489  -1.779  0.00  0.00    -0.253 OA
BRANCH   7  13
ATOM     13  C   LIG    1        4.978  -1.782  -1.291  0.00  0.00    +0.105 C 
BRANCH  13  15
ATOM     14  C   LIG    1        6.388   0.160  -0.426  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.211  -1.349  -0.498  0.00  0.00    +0.015 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1       -2.374   1.481   1.664  0.00  0.00    +0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.068   0.146   1.420  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -3.895  -0.053   0.202  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -4.497  -1.299   0.039  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -5.292  -1.569  -1.082  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -5.483  -0.582  -2.048  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.883   0.666  -1.893  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.288  -2.337   1.061  0.00  0.00    +0.272 A 
ATOM     24  O   LIG    1       -4.799  -3.447   0.962  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -3.493  -1.987   2.124  0.00  0.00    -0.242 N 
ATOM     26  H   LIG    1       -3.346  -2.689   2.843  0.00  0.00    +0.192 HD
ATOM     27  C   LIG    1       -4.090   0.934  -0.771  0.00  0.00    +0.010 A 
ATOM     28  N   LIG    1       -2.891  -0.784   2.314  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5