REMARK  Name = BDB006992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.339   0.564   1.490  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.996   0.712   1.110  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        3.358  -0.361   0.517  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        2.039  -0.482   0.046  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        1.870  -1.847  -0.491  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1        3.206  -2.610  -0.304  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        3.788  -3.057  -1.646  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1        3.036  -3.804   0.639  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        1.081   0.522   0.071  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        1.306   1.666   0.476  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        4.066  -1.541   0.332  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1        5.355  -1.732   0.680  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1        5.960  -0.666   1.256  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        6.105   1.696   2.124  0.00  0.00    +0.275 C 
ATOM     15  F   LIG    1        7.212   1.253   2.791  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1        5.359   2.351   3.060  0.00  0.00    -0.200 F 
BRANCH  14  18
ATOM     17  C   LIG    1        7.348   3.858   1.692  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        6.561   2.711   1.072  0.00  0.00    +0.077 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -0.325   0.151  -0.444  0.00  0.00    +0.181 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.344   0.237   0.629  0.00  0.00    -0.287 NA
ATOM     21  C   LIG    1       -2.727   0.006   0.125  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -2.953  -1.440  -0.418  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -2.050  -2.473   0.128  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -2.504  -3.384   0.070  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -1.629  -2.187   1.509  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -2.748  -2.533   2.498  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -1.099  -0.732   1.726  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     28  C   LIG    1       -3.220   1.079  -0.892  0.00  0.00    +0.105 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.641   0.945  -1.273  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -4.965   1.659  -2.539  0.00  0.00    +0.079 C 
ATOM     31  C   LIG    1       -4.604   3.153  -2.552  0.00  0.00    +0.026 C 
ATOM     32  C   LIG    1       -6.465   1.477  -2.875  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1       -7.303   1.968  -1.821  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -7.031   1.253  -0.611  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -5.555   1.378  -0.194  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 6