REMARK  Name = BDB004688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.264  -0.559  -0.685  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -3.264   0.324  -0.223  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.956  -0.184  -0.097  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.975   0.709   0.382  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -1.250   1.991   0.667  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.513   2.380   0.505  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.675  -1.528  -0.452  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.672  -2.377  -0.908  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -3.527   1.613   0.089  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.966  -1.894  -1.020  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -6.056   1.122  -0.558  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -7.017   1.404  -0.685  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.366   1.797  -0.240  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.697  -0.158  -0.857  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.542  -0.952  -1.257  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.352   0.257   0.549  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.346  -0.564   1.149  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.286   1.259   1.045  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.655   0.623   1.165  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.364   0.249   0.011  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        4.634  -0.356   0.091  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1        5.185  -0.583   1.357  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        6.732  -1.319   1.566  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.485  -0.218   2.512  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        3.227   0.380   2.418  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1        5.364  -0.746  -1.166  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        5.610  -2.082  -1.247  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.566  -0.122  -1.301  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.671  -0.439  -2.303  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5