REMARK  Name = BDB053969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.578  -1.087   0.307  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        1.218  -1.833   0.542  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.179  -0.908   0.086  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -1.818  -0.559   0.002  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.783  -1.435   0.363  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -1.127  -2.725   0.822  0.00  0.00    +0.151 A 
ATOM      7  C   LIG    1       -2.468  -3.101   0.895  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -3.475  -2.202   0.526  0.00  0.00    +0.027 A 
BRANCH   3  13
ATOM      9  C   LIG    1       -7.225   2.918  -1.023  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -6.429   1.886  -0.361  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -6.402   0.648  -1.170  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1       -5.537  -0.461  -0.527  0.00  0.00    +0.120 C 
ATOM     13  N   LIG    1       -4.159   0.022  -0.298  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1       -4.132   1.279   0.492  0.00  0.00    +0.120 C 
ATOM     15  C   LIG    1       -5.039   2.352  -0.156  0.00  0.00    +0.103 C 
ENDBRANCH   3  13
BRANCH   6  16
ATOM     16  O   LIG    1       -0.059  -3.521   1.162  0.00  0.00    -0.404 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.330  -4.823   1.646  0.00  0.00    +0.575 C 
ATOM     18  F   LIG    1        0.846  -5.427   1.928  0.00  0.00    -0.133 F 
ATOM     19  F   LIG    1       -1.060  -4.782   2.780  0.00  0.00    -0.133 F 
ATOM     20  F   LIG    1       -0.970  -5.568   0.720  0.00  0.00    -0.133 F 
ENDBRANCH  16  17
ENDBRANCH   6  16
ENDBRANCH   1   5
BRANCH   1  21
ATOM     21  C   LIG    1        1.288   0.049  -0.058  0.00  0.00    +0.220 A 
ATOM     22  N   LIG    1        2.623  -0.073   0.022  0.00  0.00    -0.213 NA
ATOM     23  C   LIG    1        3.371   0.994  -0.322  0.00  0.00    +0.092 A 
ATOM     24  C   LIG    1        2.824   2.182  -0.747  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        1.456   2.217  -0.787  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        0.677   1.176  -0.447  0.00  0.00    -0.223 NA
BRANCH  23  27
ATOM     27  C   LIG    1        4.824   0.804  -0.236  0.00  0.00    +0.068 A 
ATOM     28  N   LIG    1        5.474  -0.039   0.648  0.00  0.00    -0.348 N 
ATOM     29  C   LIG    1        4.858  -0.855   1.675  0.00  0.00    +0.149 C 
ATOM     30  C   LIG    1        6.835   0.027   0.453  0.00  0.00    +0.099 A 
ATOM     31  C   LIG    1        7.098   0.926  -0.564  0.00  0.00    +0.055 A 
ATOM     32  C   LIG    1        5.825   1.411  -0.982  0.00  0.00    +0.042 A 
BRANCH  31  33
ATOM     33  C   LIG    1        8.388   1.323  -1.114  0.00  0.00    +0.243 C 
ATOM     34  O   LIG    1        8.512   2.180  -1.982  0.00  0.00    -0.270 OA
ATOM     35  N   LIG    1        9.481   0.671  -0.622  0.00  0.00    -0.325 N 
ATOM     36  H   LIG    1       10.363   0.861  -1.075  0.00  0.00    +0.145 HD
ATOM     37  H   LIG    1        9.398  -0.153  -0.048  0.00  0.00    +0.145 HD
ENDBRANCH  31  33
ENDBRANCH  23  27
ENDBRANCH   1  21
TORSDOF 7