REMARK  Name = BDB018574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.702   2.584   0.087  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.650   2.692   0.665  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.179   3.924   0.803  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.513   5.073   0.412  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.180   6.355   0.585  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.752   5.039  -0.161  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.382   6.020  -0.542  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.358   3.692  -0.302  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.685  -1.145  -0.299  0.00  0.00    +0.044 A 
ATOM     10  N   LIG    1        2.533  -0.599   0.932  0.00  0.00    -0.259 NA
ATOM     11  C   LIG    1        1.915   0.604   1.013  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1        1.428   1.310  -0.082  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.605   0.736  -1.340  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.237  -0.502  -1.452  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        2.375  -3.582  -0.838  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        3.349  -2.507  -0.352  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        4.622  -2.491  -1.199  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.383   1.533   1.083  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.643   0.407   0.334  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.306  -0.490   1.143  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -2.591   0.087   2.348  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -2.005   1.283   2.313  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.716  -1.842   0.899  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -2.386  -2.592  -0.245  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -2.857  -3.912  -0.349  0.00  0.00    +0.143 A 
ATOM     26  F   LIG    1       -2.558  -4.649  -1.431  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -3.633  -4.504   0.642  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -3.954  -3.776   1.776  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.500  -2.462   1.904  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -1.581  -2.143  -1.338  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -0.941  -1.792  -2.242  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5