REMARK  Name = BDB016327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.256   0.570   2.750  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.349  -0.600   1.771  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -3.283  -0.534   0.794  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.709  -1.385   0.745  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.264   0.184  -0.399  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -4.270   1.069  -0.844  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.044   1.882  -1.977  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.865   1.811  -2.712  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.872   0.933  -2.314  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -5.550   1.239  -0.282  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.112   2.006  -0.630  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -6.259   0.483   0.594  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -7.398   0.848   0.899  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.057   0.151  -1.162  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -5.698  -0.797   1.123  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.938  -0.753  -0.755  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        0.307  -0.150  -0.740  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.330   0.851  -0.889  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -1.204  -1.911  -0.450  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.547  -0.752  -0.442  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.672   0.083  -0.404  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.946  -0.423  -0.120  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        4.098  -1.786   0.117  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.984  -2.628   0.078  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        1.715  -2.114  -0.199  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  O   LIG    1        4.938   0.517  -0.123  0.00  0.00    -0.489 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.251   0.150   0.315  0.00  0.00    +0.167 C 
ATOM     28  C   LIG    1        7.072  -0.352  -0.869  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.888   1.411   0.894  0.00  0.00    +0.051 C 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 4