REMARK  Name = BDB048368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.298   3.292   0.003  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.800   3.399  -0.120  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.047   2.292   0.252  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.583   2.470   0.204  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.887   1.158   0.262  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.516   0.821   0.107  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.341  -0.497   0.260  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.571  -1.002   0.467  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.528  -0.036   0.514  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.985  -0.185   0.731  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.572   1.195   1.096  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.286   4.434  -0.545  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.430   1.757  -0.159  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.115   2.708  -0.299  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.832   1.654  -0.323  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.554   0.469  -0.126  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.946   0.406  -0.314  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.625   1.565  -0.710  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.928   2.755  -0.910  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.546   2.796  -0.719  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.651  -0.851  -0.108  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.987  -0.981   0.210  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        6.228  -2.320   0.324  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        7.484  -2.951   0.649  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        5.143  -3.082   0.104  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        4.184  -2.188  -0.154  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.732  -2.438   0.667  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.035  -3.248  -0.564  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -1.158  -3.169  -1.790  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.579  -2.677  -1.854  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5