REMARK  Name = BDB001998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245  -2.210  -1.264  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.553  -1.080  -0.720  0.00  0.00    -0.290 NA
ATOM      3  C   LIG    1       -1.577  -0.653  -1.726  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1       -2.455   0.526  -1.244  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1       -3.118   0.188   0.035  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -2.162  -0.273   1.058  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -1.296  -1.437   0.518  0.00  0.00    +0.104 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.114   1.099   0.420  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.226   1.305  -0.419  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -6.251   2.193  -0.079  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -6.181   2.884   1.119  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -7.160   3.736   1.452  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -5.111   2.698   1.981  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.089   1.806   1.634  0.00  0.00    +0.026 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.218  -1.801  -2.345  0.00  0.00    +0.169 A 
ATOM     16  N   LIG    1        1.891  -0.611  -2.502  0.00  0.00    -0.223 N 
ATOM     17  N   LIG    1        2.675  -0.686  -3.600  0.00  0.00    -0.044 NA
ATOM     18  N   LIG    1        2.489  -1.899  -4.090  0.00  0.00    -0.023 NA
ATOM     19  N   LIG    1        1.589  -2.595  -3.336  0.00  0.00    -0.112 NA
BRANCH  16  20
ATOM     20  C   LIG    1        1.788   0.668  -1.825  0.00  0.00    +0.182 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.630   0.774  -0.578  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1        4.016   0.539  -0.617  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.735   0.685   0.551  0.00  0.00    +0.167 A 
ATOM     24  O   LIG    1        6.073   0.486   0.689  0.00  0.00    -0.453 OA
ATOM     25  C   LIG    1        6.248   0.778   2.091  0.00  0.00    +0.466 C 
ATOM     26  O   LIG    1        5.023   1.148   2.757  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        4.138   1.063   1.729  0.00  0.00    +0.166 A 
ATOM     28  C   LIG    1        2.788   1.323   1.806  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        2.031   1.181   0.639  0.00  0.00    +0.009 A 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  15
BRANCH   1  31
ATOM     30  C   LIG    1        2.058  -2.498   0.598  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1        0.972  -3.139  -0.250  0.00  0.00    +0.023 C 
ENDBRANCH   1  31
TORSDOF 6