REMARK  Name = BDB057063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.041  -0.014  -2.032  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.962  -0.057  -1.444  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.904   0.780  -1.811  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -1.704  -0.907  -0.395  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -0.887  -0.698   0.148  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.471   0.814  -1.250  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.237  -0.503  -1.432  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.679  -0.378  -0.925  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        2.820   0.504   0.234  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        1.609   0.657   1.027  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        0.532   1.351   0.191  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.042   0.288   1.006  0.00  0.00    +0.088 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.061  -0.985   1.802  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1        4.710  -2.240   1.272  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        5.367  -1.471   2.382  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  16
ATOM     16  C   LIG    1       -2.528  -1.928   0.124  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -2.096  -2.558   1.299  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.847  -3.589   1.892  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1       -4.036  -4.000   1.277  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.468  -3.384   0.105  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.716  -2.354  -0.469  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -2.356  -4.266   3.146  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -1.555  -5.335   2.877  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -3.362  -4.739   3.932  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -1.619  -3.441   3.942  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   4  16
BRANCH   3  26
ATOM     26  C   LIG    1       -1.199   1.796  -2.829  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.389   3.170  -2.226  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.543   3.461  -1.482  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.718   4.721  -0.909  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.743   5.704  -1.074  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.594   5.427  -1.811  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.416   4.167  -2.385  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 7