REMARK  Name = BDB026516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.809  -1.670  -0.514  0.00  0.00    -0.286 N 
ATOM      2  C   LIG    1        3.136  -1.177  -1.783  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.967  -0.662  -2.355  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.967  -0.085  -3.606  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        3.187  -0.042  -4.276  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1        4.367  -0.556  -3.710  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        3.243   0.510  -5.496  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        0.924  -0.843  -1.435  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1        4.351  -1.134  -2.437  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.446  -1.427  -0.264  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        0.846  -1.660   0.774  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.736  -2.206   0.450  0.00  0.00    +0.182 C 
BRANCH  12  16
ATOM     13  C   LIG    1        5.882   0.855   2.512  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        6.454   0.055   1.535  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1        5.790  -0.926   0.876  0.00  0.00    -0.257 NA
ATOM     16  C   LIG    1        4.485  -1.128   1.203  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1        3.836  -0.366   2.175  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        4.545   0.636   2.836  0.00  0.00    +0.022 A 
BRANCH  13  20
ATOM     19  N   LIG    1        7.273   2.696   3.683  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        6.648   1.871   3.159  0.00  0.00    +0.101 C 
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  C   LIG    1       -0.436  -0.366  -1.582  0.00  0.00    +0.159 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.633   1.053  -1.022  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  O   LIG    1        0.141   1.980  -1.804  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        0.260   2.779  -1.260  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.105   1.521  -1.067  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.994   0.718  -0.217  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -3.808   1.579   0.664  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -4.837   0.821   1.476  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.266  -0.459   1.084  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.241  -1.129   1.836  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.807  -0.520   2.955  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.400   0.756   3.336  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.629  -1.132  -0.104  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.422   1.426   2.599  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.889  -0.141  -1.012  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 8