REMARK  Name = BDB017087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.880   3.633   0.569  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.662   2.938   0.227  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.375   1.611   0.473  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.892   1.429  -0.075  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -1.357   2.618  -0.615  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.403   3.494  -0.419  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.290   0.702   1.153  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.103  -0.162   0.401  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        2.985  -1.036   1.038  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        3.050  -1.019   2.436  0.00  0.00    +0.165 A 
ATOM     11  F   LIG    1        3.895  -1.840   3.078  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        2.248  -0.170   3.193  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        1.361   0.691   2.550  0.00  0.00    +0.013 A 
BRANCH   9  14
ATOM     14  O   LIG    1        3.828  -1.918   0.420  0.00  0.00    -0.480 OA
BRANCH  14  15
ATOM     15  C   LIG    1        3.636  -2.195  -0.972  0.00  0.00    +0.342 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.507  -1.335  -1.876  0.00  0.00    +0.424 C 
ATOM     17  F   LIG    1        4.342  -1.702  -3.171  0.00  0.00    -0.167 F 
ATOM     18  F   LIG    1        5.820  -1.470  -1.588  0.00  0.00    -0.167 F 
ATOM     19  F   LIG    1        4.196  -0.023  -1.793  0.00  0.00    -0.167 F 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   4  20
ATOM     20  C   LIG    1       -1.680   0.197  -0.104  0.00  0.00    +0.092 A 
ATOM     21  N   LIG    1       -1.098  -0.942   0.348  0.00  0.00    -0.253 NA
ATOM     22  C   LIG    1       -1.830  -2.073   0.324  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -3.130  -2.137  -0.141  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -3.725  -0.966  -0.613  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -2.983   0.219  -0.592  0.00  0.00    +0.041 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -5.090  -0.985  -1.114  0.00  0.00    +0.204 A 
ATOM     27  N   LIG    1       -5.753   0.087  -1.582  0.00  0.00    -0.133 NA
ATOM     28  N   LIG    1       -6.927  -0.478  -1.899  0.00  0.00    -0.176 N 
ATOM     29  H   LIG    1       -7.696   0.056  -2.295  0.00  0.00    +0.214 HD
ATOM     30  N   LIG    1       -7.031  -1.790  -1.664  0.00  0.00    -0.049 NA
ATOM     31  N   LIG    1       -5.855  -2.131  -1.158  0.00  0.00    -0.108 NA
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 6