REMARK  Name = BDB047618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.348   1.473   2.495  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.877   0.799   1.225  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.841  -0.088   0.718  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.904   0.263   0.910  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.931  -0.584  -0.599  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.140  -0.767  -1.315  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.097  -1.264  -2.634  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.903  -1.637  -3.240  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.719  -1.528  -2.530  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.450  -0.501  -0.865  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.195  -0.622  -1.541  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.966  -0.161   0.342  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.189  -0.012   0.430  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.711  -1.020  -1.217  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.100  -0.028   1.551  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.593  -0.947  -0.527  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.523   0.054  -0.868  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.765   0.126  -0.201  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.922   0.968  -0.257  0.00  0.00    +0.155 A 
ATOM     20  N   LIG    1        4.829   0.595   0.665  0.00  0.00    -0.166 NA
ATOM     21  N   LIG    1        4.272  -0.457   1.283  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        4.988  -1.109   2.354  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        3.033  -0.798   0.806  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        2.134  -1.809   1.168  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        0.916  -1.866   0.481  0.00  0.00    +0.010 A 
BRANCH  19  26
ATOM     26  C   LIG    1        4.186   2.100  -1.158  0.00  0.00    +0.262 C 
ATOM     27  O   LIG    1        4.880   3.073  -0.876  0.00  0.00    -0.269 OA
ATOM     28  N   LIG    1        3.639   2.006  -2.414  0.00  0.00    -0.324 N 
ATOM     29  H   LIG    1        3.986   2.692  -3.071  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        3.388   1.099  -2.780  0.00  0.00    +0.145 HD
ENDBRANCH  19  26
ENDBRANCH  14  16
TORSDOF 2