REMARK  Name = BDB060426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.943  -1.315  -0.264  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -1.018  -0.597  -0.974  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -2.077  -2.066  -0.021  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -2.197  -2.994   0.770  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1        1.923   3.591  -0.653  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1        2.163   2.235  -0.228  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1        1.699   1.942   0.621  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1        3.411   1.683  -0.391  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1        3.603   0.424   0.189  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1        2.584  -0.514   0.568  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        2.874  -1.512   1.516  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        1.872  -2.396   1.936  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        0.595  -2.340   1.378  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.307  -1.413   0.383  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        4.254  -1.633   2.100  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        5.260  -1.291   1.019  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        1.307  -0.513  -0.018  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.998   0.116   0.509  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1        4.319   2.309  -0.939  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1       -3.255  -1.717  -0.865  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1       -3.740  -0.400  -1.023  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1       -4.852  -0.213  -1.871  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -5.463  -1.287  -2.525  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.982  -2.579  -2.342  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.885  -2.795  -1.511  0.00  0.00    +0.013 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.176   0.771  -0.327  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -2.688   1.872  -1.052  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.150   2.983  -0.398  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.088   3.010   0.993  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.569   1.931   1.730  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.113   0.823   1.076  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH   3  20
TORSDOF 3