REMARK  Name = BDB016462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.006  -0.034   2.165  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -1.620  -1.050   1.326  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -0.613  -1.788   1.679  0.00  0.00    +0.099 C 
ATOM      4  C   LIG    1        0.087  -1.557   2.989  0.00  0.00    +0.094 C 
ATOM      5  C   LIG    1       -0.985  -1.120   3.960  0.00  0.00    +0.151 C 
ATOM      6  N   LIG    1       -1.719   0.021   3.423  0.00  0.00    -0.265 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.856   0.891   0.655  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -2.763   1.083   1.530  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -2.313   2.380   1.832  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.909   3.494   1.246  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.959   3.320   0.352  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.425   2.036   0.059  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.055  -0.948  -1.049  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -4.441  -0.483   0.357  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.965  -0.528   0.538  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1       -0.201  -2.769   0.811  0.00  0.00    -0.328 N 
ATOM     17  H   LIG    1       -0.687  -2.682  -0.076  0.00  0.00    +0.147 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.164  -3.233   0.674  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.033  -2.192   0.012  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        1.845  -1.855  -1.335  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.643  -0.880  -1.943  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.650  -0.217  -1.226  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        3.833  -0.562   0.122  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.037  -1.536   0.734  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.485   0.813  -1.865  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        3.904   1.918  -2.510  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.696   2.897  -3.117  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.084   2.786  -3.091  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.680   1.698  -2.458  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.886   0.721  -1.850  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6