REMARK  Name = BDB014857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.457   4.364   1.659  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.163   4.033   0.962  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.438   2.952   1.442  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.130   2.724   0.799  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.607   1.370   1.121  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.470   0.670   0.635  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.370  -0.523   1.230  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.443  -0.615   2.039  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.192   0.521   2.037  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.422   0.826   2.802  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.653   2.354   2.780  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.789   4.704  -0.001  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.355   1.203  -0.301  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.099   2.103  -0.687  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.541   0.713  -0.894  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.139   1.462  -1.921  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.314   1.031  -2.551  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.928  -0.167  -2.172  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.340  -0.919  -1.150  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.163  -0.484  -0.525  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.151  -0.625  -2.808  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.515  -0.370  -4.115  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        6.715  -0.992  -4.307  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        7.491  -1.020  -5.522  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.167  -1.637  -3.217  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.213  -1.417  -2.309  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.652  -1.838   2.807  0.00  0.00    +0.150 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.287  -2.950   1.990  0.00  0.00    -0.012 C 
ATOM     29  C   LIG    1       -1.913  -4.381   2.333  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -1.401  -3.760   1.065  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -3.699  -2.686   1.530  0.00  0.00    +0.013 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5