REMARK  Name = BDB045450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.764  -0.488  -1.161  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -1.093  -0.080   0.156  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -0.053   0.142   1.065  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.284  -0.021   0.686  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        1.599  -0.402  -0.621  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.572  -0.649  -1.540  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.006  -0.586  -1.071  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        3.957   0.191  -0.442  0.00  0.00    -0.308 N 
ATOM      9  H   LIG    1        3.651   0.940   0.164  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.259  -1.373  -1.977  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.365   0.146  -0.829  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        6.045  -1.132  -0.338  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        7.503  -1.190  -0.811  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        8.129   0.133  -0.962  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        9.584   0.035  -0.886  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1        7.597   1.100  -0.009  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        6.119   1.381  -0.306  0.00  0.00    +0.037 C 
ENDBRANCH   8  11
ENDBRANCH   5   7
BRANCH   1  19
ATOM     18  C   LIG    1       -1.571  -1.167  -3.304  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.845  -0.696  -1.990  0.00  0.00    -0.493 OA
ENDBRANCH   1  19
BRANCH   2  20
ATOM     20  N   LIG    1       -2.449   0.070   0.482  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -3.082  -0.123  -0.285  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.153   0.455   1.613  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1       -4.492   0.467   1.469  0.00  0.00    -0.197 NA
ATOM     24  C   LIG    1       -5.260   0.819   2.517  0.00  0.00    +0.160 A 
ATOM     25  C   LIG    1       -4.682   1.187   3.719  0.00  0.00    +0.181 A 
ATOM     26  F   LIG    1       -5.417   1.545   4.781  0.00  0.00    -0.200 F 
ATOM     27  C   LIG    1       -3.314   1.151   3.789  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1       -2.532   0.787   2.756  0.00  0.00    -0.220 NA
BRANCH  24  29
ATOM     29  N   LIG    1       -6.655   0.892   2.388  0.00  0.00    -0.324 N 
ATOM     30  H   LIG    1       -7.093   0.555   3.243  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -7.341   0.411   1.191  0.00  0.00    +0.072 C 
ATOM     32  C   LIG    1       -7.177  -1.088   0.928  0.00  0.00    +0.022 C 
ATOM     33  C   LIG    1       -7.295  -1.203  -0.585  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -6.572   0.036  -1.091  0.00  0.00    +0.002 C 
ATOM     35  C   LIG    1       -6.965   1.136  -0.108  0.00  0.00    +0.022 C 
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 7