REMARK  Name = BDB039644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.677  -0.026   0.651  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.538   0.881   0.430  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.237   0.081   0.182  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.151  -0.822   1.293  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.046  -1.334   1.999  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.355  -1.365   1.174  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.576   0.998  -0.425  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.287  -0.319  -0.299  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        5.010  -0.614   0.047  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.744  -1.929   0.134  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.973   0.316   0.287  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.353   1.659   0.141  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.655   2.011  -0.216  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.202   0.355  -1.275  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.793   0.238  -1.022  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.381  -0.669  -0.816  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.986   1.335  -0.805  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.362   2.498  -0.897  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.998  -1.927   0.808  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.348  -1.462   0.310  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.781  -1.796  -0.981  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1       -1.987  -2.520  -1.784  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.022  -1.393  -1.461  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.844  -0.642  -0.623  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -4.443  -0.297   0.673  0.00  0.00    +0.068 A 
ATOM     26  N   LIG    1       -5.290   0.461   1.497  0.00  0.00    -0.319 N 
ATOM     27  H   LIG    1       -5.004   0.714   2.434  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -6.537   0.910   1.113  0.00  0.00    +0.275 A 
ATOM     29  C   LIG    1       -6.933   0.547  -0.219  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1       -8.077   0.800  -0.955  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.832   0.164  -2.193  0.00  0.00    +0.139 A 
ATOM     32  N   LIG    1       -6.641  -0.438  -2.242  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -9.280   1.559  -0.543  0.00  0.00    +0.048 C 
ATOM     34  O   LIG    1       -7.223   1.570   1.887  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -6.110  -0.192  -1.027  0.00  0.00    -0.225 N 
ATOM     36  C   LIG    1       -3.197  -0.710   1.142  0.00  0.00    +0.035 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4