REMARK  Name = BDB018986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.020   1.185   0.802  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.352   0.773   0.560  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.438   1.400   1.196  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.754   0.985   0.926  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        4.025  -0.061   0.031  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.957  -0.709  -0.606  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.231   2.558   2.137  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.794   2.635   2.626  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.641  -0.267  -0.342  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.154   2.498   1.444  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -3.446   0.489  -0.528  0.00  0.00    -0.020 A 
ATOM     12  C   LIG    1       -3.558  -0.843  -0.154  0.00  0.00    +0.073 A 
ATOM     13  N   LIG    1       -4.586  -1.797  -0.306  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1       -4.173  -3.025   0.262  0.00  0.00    +0.330 A 
ATOM     15  N   LIG    1       -2.884  -2.809   0.773  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1       -2.078  -3.789   1.441  0.00  0.00    +0.154 C 
ATOM     17  O   LIG    1       -4.808  -4.068   0.296  0.00  0.00    -0.246 OA
ATOM     18  C   LIG    1       -5.845  -1.630  -0.968  0.00  0.00    +0.154 C 
ATOM     19  C   LIG    1       -2.507  -1.485   0.518  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -1.323  -0.852   0.843  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -1.170   0.493   0.486  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1       -2.235   1.140  -0.188  0.00  0.00    +0.029 A 
BRANCH  11  23
ATOM     23  C   LIG    1       -4.509   1.295  -1.224  0.00  0.00    +0.037 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.537   2.762  -0.936  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.431   1.999  -0.226  0.00  0.00    +0.001 C 
ENDBRANCH  23  25
ENDBRANCH  11  23
ENDBRANCH   1  21
BRANCH   5  26
ATOM     26  C   LIG    1        5.413  -0.413  -0.191  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.055  -0.365  -1.409  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.345  -0.743  -1.172  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.401  -0.881  -2.145  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.605  -0.983   0.127  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.424  -0.787   0.722  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        3.148  -1.847  -1.577  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        3.578  -1.433  -2.803  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        4.034  -2.792  -1.157  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 5