REMARK  Name = BDB018252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.101   0.001   1.482  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        1.413  -1.311   1.610  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.361  -1.938   1.073  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.649  -1.042   0.671  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.165   0.204   0.995  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.926  -1.330   0.090  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.322  -0.899  -1.279  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -3.611  -1.089  -1.639  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1       -4.609  -1.750  -0.765  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -5.764  -1.864  -1.162  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -4.131  -2.207   0.450  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -5.042  -2.869   1.370  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.835  -1.968   0.857  0.00  0.00    +0.099 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -1.378  -0.342  -2.199  0.00  0.00    -0.239 N 
ATOM     15  N   LIG    1       -0.018  -0.332  -2.058  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1        0.474   0.294  -3.121  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -0.519   0.685  -4.015  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -1.685   0.268  -3.424  0.00  0.00    +0.114 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        3.036   0.624   2.957  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.050   1.052   1.866  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.770   1.607   0.645  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        3.518   0.774  -0.204  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.184   1.299  -1.312  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.114   2.662  -1.588  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.378   3.502  -0.755  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.711   2.980   0.355  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4