REMARK  Name = BDB057086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.147  -0.098  -1.645  0.00  0.00    +0.210 C 
ATOM      2  C   LIG    1       -0.284  -0.474  -0.419  0.00  0.00    +0.118 C 
ATOM      3  C   LIG    1       -1.030  -0.148   0.878  0.00  0.00    +0.041 C 
ATOM      4  C   LIG    1       -2.422  -0.774   0.904  0.00  0.00    +0.087 C 
ATOM      5  N   LIG    1       -3.218  -0.325  -0.250  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -2.556  -0.703  -1.505  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.009   0.215  -0.429  0.00  0.00    -0.293 N 
ATOM      8  H   LIG    1        1.190   0.835  -1.215  0.00  0.00    +0.151 HD
ATOM      9  C   LIG    1        2.105  -0.286   0.239  0.00  0.00    +0.304 C 
ATOM     10  N   LIG    1        3.212   0.503   0.017  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        3.037   1.352  -0.499  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        2.044  -1.294   0.929  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.523   0.306   0.492  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        5.472   1.289   0.176  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        6.806   1.179   0.609  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1        7.186   0.055   1.352  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        6.249  -0.927   1.667  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.924  -0.801   1.239  0.00  0.00    +0.023 A 
BRANCH  15  19
ATOM     19  C   LIG    1        7.815   2.236   0.241  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        7.273   3.483   0.154  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.839   2.338   1.134  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        8.395   1.998  -0.968  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  23
ATOM     23  O   LIG    1       -0.587  -0.645  -2.866  0.00  0.00    -0.458 OA
BRANCH  23  25
ATOM     24  C   LIG    1        0.850  -0.623  -4.717  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        0.420   0.054  -3.453  0.00  0.00    +0.304 C 
ATOM     26  O   LIG    1        0.923   1.078  -3.009  0.00  0.00    -0.251 OA
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   5  27
ATOM     27  C   LIG    1       -4.583  -0.886  -0.209  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.434  -0.322   0.909  0.00  0.00    -0.033 A 
ATOM     29  C   LIG    1       -5.653   1.060   1.011  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.449   1.580   2.033  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.038   0.724   2.961  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.832  -0.652   2.869  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.035  -1.173   1.847  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7