REMARK  Name = BDB040863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.823  -1.838  -0.046  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.448  -2.709   1.083  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.090  -2.762   1.254  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.795  -3.261   0.064  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.127  -2.884  -1.190  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.806  -1.652  -1.098  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.388   0.357  -0.068  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.367   0.794  -0.831  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.226   0.063  -0.801  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.228   0.555  -1.556  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.004  -1.107  -0.045  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.103  -1.510   0.723  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.297  -0.783   0.719  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        5.942   2.908  -1.727  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.863   2.262  -0.822  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.783   2.668  -0.712  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.678   1.129  -0.062  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.614   0.745   0.642  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.247  -3.079   0.087  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.760  -1.652   0.004  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.024  -1.067  -1.264  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -3.487   0.258  -1.318  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -3.857   1.234  -2.273  0.00  0.00    +0.240 A 
ATOM     24  N   LIG    1       -4.238   2.403  -1.733  0.00  0.00    -0.139 NA
ATOM     25  N   LIG    1       -4.126   2.160  -0.412  0.00  0.00    -0.248 N 
ATOM     26  C   LIG    1       -4.418   3.122   0.641  0.00  0.00    +0.191 C 
ATOM     27  C   LIG    1       -4.143   2.539   2.056  0.00  0.00    +0.242 C 
ATOM     28  N   LIG    1       -3.687   1.240   2.201  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -3.529   0.921   3.150  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -3.443   0.396   1.122  0.00  0.00    +0.060 A 
ATOM     31  O   LIG    1       -4.324   3.215   3.073  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -5.859   3.616   0.567  0.00  0.00    +0.042 C 
ATOM     33  F   LIG    1       -3.826   1.022  -3.596  0.00  0.00    -0.182 F 
ATOM     34  C   LIG    1       -3.674   0.915  -0.127  0.00  0.00    +0.094 A 
ATOM     35  C   LIG    1       -2.983  -0.912   1.190  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4