REMARK  Name = BDB040865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.387  -0.785   0.482  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.357  -0.039  -0.284  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.037  -0.683  -0.089  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.428  -0.796   1.336  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.626  -1.540   2.064  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.022  -0.893   1.913  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.314   0.285  -0.506  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.924   0.485   0.770  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.653   0.140   1.077  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.301   0.358   2.355  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.709  -0.399   0.178  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.182  -0.594  -1.130  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.486  -0.250  -1.484  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.813  -0.010  -1.919  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.411  -0.216  -1.655  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.049  -1.156  -1.751  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.722   0.670  -0.839  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.219   1.701  -0.398  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.725  -1.472   1.493  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.892  -0.646   0.984  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.121   0.648   1.528  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -4.207   1.399   1.050  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -4.808   2.667   1.247  0.00  0.00    +0.143 A 
ATOM     24  N   LIG    1       -5.883   2.869   0.463  0.00  0.00    -0.178 NA
ATOM     25  N   LIG    1       -5.974   1.712  -0.221  0.00  0.00    -0.250 N 
ATOM     26  C   LIG    1       -6.984   1.413  -1.225  0.00  0.00    +0.190 C 
ATOM     27  C   LIG    1       -6.769   0.015  -1.870  0.00  0.00    +0.242 C 
ATOM     28  N   LIG    1       -5.725  -0.794  -1.457  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.643  -1.694  -1.914  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -4.815  -0.415  -0.475  0.00  0.00    +0.060 A 
ATOM     31  O   LIG    1       -7.520  -0.402  -2.758  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -8.393   1.494  -0.645  0.00  0.00    +0.042 C 
ATOM     33  C   LIG    1       -4.996   0.827   0.083  0.00  0.00    +0.091 A 
ATOM     34  C   LIG    1       -3.744  -1.169  -0.014  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4