REMARK  Name = BDB018549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.673  -6.478   1.588  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.003  -5.266   1.140  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.198  -5.370   0.454  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.769  -6.421   0.178  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.811  -4.087   0.035  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.223  -2.905   0.299  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.060  -2.866   1.033  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.596  -4.045   1.411  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.952  -1.713  -0.180  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.485  -0.779   0.697  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        2.090   0.371   0.311  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.219   0.637  -1.008  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.722  -0.262  -1.949  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        1.087  -1.438  -1.539  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1        2.807   1.821  -1.373  0.00  0.00    -0.315 N 
ATOM     16  C   LIG    1        3.465   2.647  -0.363  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        4.475   3.474  -1.160  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        3.865   3.539  -2.550  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        3.255   2.150  -2.716  0.00  0.00    +0.106 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.723  -1.633   1.361  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.856  -0.515   0.568  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.493   0.454   1.317  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -2.886  -0.044   2.509  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -2.397  -1.283   2.546  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.703   1.821   0.973  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1       -3.602   2.645   1.681  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -3.723   3.987   1.299  0.00  0.00    +0.143 A 
ATOM     28  F   LIG    1       -4.576   4.800   1.942  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -2.984   4.524   0.248  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -2.098   3.714  -0.450  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.956   2.371  -0.092  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -4.463   2.206   2.744  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -5.205   1.911   3.588  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5