REMARK  Name = BDB054540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.153  -1.479   0.739  0.00  0.00    +0.168 A 
ATOM      2  O   LIG    1        1.086  -0.598   1.774  0.00  0.00    -0.354 OA
ATOM      3  N   LIG    1        0.097   0.337   1.530  0.00  0.00    -0.082 NA
ATOM      4  C   LIG    1       -0.447  -0.005   0.354  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.184  -1.155  -0.180  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.579   0.815  -0.217  0.00  0.00    +0.091 C 
ATOM      7  C   LIG    1       -2.933   0.027  -0.384  0.00  0.00    +0.102 C 
ATOM      8  C   LIG    1       -3.159  -0.304  -1.872  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1       -3.161   0.941  -2.761  0.00  0.00    +0.084 C 
ATOM     10  N   LIG    1       -2.248   1.997  -2.316  0.00  0.00    -0.315 NA
ATOM     11  H   LIG    1       -1.912   2.521  -3.125  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1       -1.126   1.468  -1.548  0.00  0.00    +0.094 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.192   0.717   0.183  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -5.308  -0.064   0.559  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -6.466   0.528   1.058  0.00  0.00    +0.159 A 
ATOM     16  F   LIG    1       -7.501  -0.248   1.409  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -6.551   1.905   1.183  0.00  0.00    +0.158 A 
ATOM     18  F   LIG    1       -7.665   2.476   1.659  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1       -5.481   2.704   0.804  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1       -4.314   2.115   0.302  0.00  0.00    +0.009 A 
ENDBRANCH   7  13
BRANCH   7  21
ATOM     21  O   LIG    1       -2.846  -1.243   0.299  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1       -2.735  -1.047   1.249  0.00  0.00    +0.211 HD
ENDBRANCH   7  21
ENDBRANCH   4   6
BRANCH   1  24
ATOM     23  C   LIG    1        3.499  -2.301   1.202  0.00  0.00    -0.035 A 
ATOM     24  C   LIG    1        2.154  -2.535   0.832  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        1.755  -3.845   0.508  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        2.656  -4.909   0.556  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.976  -4.679   0.923  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.394  -3.388   1.240  0.00  0.00    +0.004 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.047  -0.926   1.528  0.00  0.00    +0.054 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.202  -0.036   0.295  0.00  0.00    +0.109 C 
BRANCH  30  33
ATOM     31  C   LIG    1        5.423   3.541   0.173  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        5.156   2.142  -0.315  0.00  0.00    +0.210 C 
ATOM     33  N   LIG    1        4.654   1.298   0.651  0.00  0.00    -0.315 N 
ATOM     34  H   LIG    1        4.218   1.733   1.456  0.00  0.00    +0.149 HD
ATOM     35  O   LIG    1        5.362   1.807  -1.476  0.00  0.00    -0.276 OA
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 7