REMARK  Name = BDB018932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.005   0.410   0.111  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.937   0.186   0.992  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.621   0.196   0.482  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.335   0.391  -0.881  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1        0.003   0.391  -1.360  0.00  0.00    -0.300 N 
ATOM      6  C   LIG    1       -0.213   0.975  -2.694  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1        0.829   0.452  -3.672  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        2.213   0.877  -3.214  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        2.423   0.604  -1.747  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        3.738   0.618  -1.248  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.160  -0.049  -0.688  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -1.191  -1.302  -0.076  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.353  -1.682   0.559  0.00  0.00    +0.072 A 
ATOM     14  N   LIG    1       -2.620  -2.876   1.239  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1       -3.928  -2.834   1.743  0.00  0.00    +0.330 A 
ATOM     16  N   LIG    1       -4.468  -1.590   1.343  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -5.784  -1.163   1.707  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -4.487  -3.700   2.399  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -1.689  -3.951   1.426  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -3.498  -0.866   0.613  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1       -3.540   0.400   0.019  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -2.324   0.764  -0.625  0.00  0.00    +0.029 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.797   1.375   0.031  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -4.681   2.855  -0.455  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1       -6.127   2.723  -0.970  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -5.856   1.212  -1.103  0.00  0.00    +0.008 C 
ENDBRANCH  21  23
ENDBRANCH   5  11
BRANCH   1  31
ATOM     27  C   LIG    1        8.808  -0.661   0.648  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.504  -0.058   0.775  0.00  0.00    -0.274 N 
ATOM     29  N   LIG    1        7.330   0.969   1.627  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.039   1.281   1.488  0.00  0.00    +0.142 A 
ATOM     31  C   LIG    1        5.381   0.443   0.560  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.365  -0.413   0.113  0.00  0.00    +0.116 A 
ENDBRANCH   1  31
BRANCH   2  33
ATOM     33  C   LIG    1        3.147  -0.041   2.467  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        2.055  -0.575   3.090  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        3.416   1.115   3.136  0.00  0.00    -0.204 F 
ENDBRANCH   2  33
TORSDOF 4