REMARK  Name = BDB065015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.729  -0.503   0.229  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -4.360  -0.206   0.357  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -3.993   0.942   1.059  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.622   0.951   1.012  0.00  0.00    -0.342 N 
ATOM      5  H   LIG    1       -2.019   1.642   1.435  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -2.204  -0.139   0.289  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -4.912   1.818   1.643  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.268   1.505   1.501  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -3.237  -0.842  -0.126  0.00  0.00    -0.231 NA
ATOM     10  C   LIG    1       -6.676   0.364   0.806  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.763  -0.456   0.030  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1       -0.007  -0.747   1.329  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1        1.473  -1.008   1.052  0.00  0.00    +0.085 C 
ATOM     14  N   LIG    1        2.078   0.128   0.337  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        1.415   0.336  -0.959  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -0.067   0.657  -0.757  0.00  0.00    +0.026 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.549   0.011   0.266  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        4.189   1.392   0.005  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        5.715   1.316   0.040  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        6.239   0.263  -0.921  0.00  0.00    +0.249 C 
ATOM     21  F   LIG    1        5.996   0.661  -2.196  0.00  0.00    -0.206 F 
ATOM     22  F   LIG    1        7.586   0.169  -0.796  0.00  0.00    -0.206 F 
ATOM     23  C   LIG    1        5.614  -1.103  -0.697  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1        4.087  -1.033  -0.735  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  28
ATOM     25  N   LIG    1       -7.198  -1.541  -1.375  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -7.396  -2.339  -1.966  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -7.420  -0.625  -1.737  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -6.171  -1.716  -0.483  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1       -5.682  -2.820  -0.295  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3