REMARK  Name = BDB056788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.698   0.879   0.559  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.458   0.359   0.952  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.476   0.238  -0.040  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.692   0.631  -1.357  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.422   0.413  -2.124  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.334  -0.086  -1.308  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.933   1.173  -1.726  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.819  -0.228  -0.036  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.516  -0.761   1.111  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.932   1.301  -0.753  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.646   1.022   1.550  0.00  0.00    -0.456 OA
BRANCH  11  17
ATOM     12  C   LIG    1        8.940  -0.836   0.687  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        7.530  -0.383   0.916  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        7.278   0.858   1.509  0.00  0.00    +0.130 A 
ATOM     15  F   LIG    1        8.303   1.631   1.896  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.981   1.315   1.710  0.00  0.00    +0.084 A 
ATOM     17  C   LIG    1        4.907   0.532   1.294  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        5.136  -0.718   0.709  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        6.444  -1.168   0.510  0.00  0.00    +0.010 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.721  -0.478  -1.707  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.625   0.148  -0.797  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.955  -0.129  -0.951  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.780   0.418   0.035  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -7.165   0.212   0.002  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.726  -0.546  -1.031  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.905  -1.089  -2.020  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.523  -0.881  -1.981  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.989   0.809   1.079  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.571   1.446   2.028  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -9.304   0.580   0.918  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -9.716   1.031   1.685  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7