REMARK  Name = BDB040740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.274   0.778  -0.518  0.00  0.00    -0.270 N 
ATOM      2  C   LIG    1       -0.546   0.963   0.671  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.935   0.928   1.829  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        0.918   1.183   0.280  0.00  0.00    +0.164 C 
ATOM      5  C   LIG    1        0.792   1.689  -1.148  0.00  0.00    +0.051 C 
ATOM      6  C   LIG    1       -0.409   0.924  -1.669  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.402  -0.271  -0.875  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.557  -0.244  -1.980  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -5.032  -0.565  -3.192  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.207   0.099  -1.867  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.649   0.430  -0.624  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -3.494   0.401   0.489  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -4.843   0.060   0.357  0.00  0.00    +0.132 A 
ATOM     14  F   LIG    1       -5.612   0.051   1.456  0.00  0.00    -0.205 F 
BRANCH   7  21
ATOM     15  O   LIG    1      -10.703  -1.319   0.368  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -9.540  -1.142   0.016  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -8.995   0.116  -0.025  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -9.607   0.871   0.255  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -7.785   0.496  -0.556  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1       -7.522   1.688  -0.703  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -6.864  -0.630  -1.022  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -7.193  -1.939  -0.296  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -8.666  -2.270  -0.476  0.00  0.00    +0.097 C 
ENDBRANCH   7  21
ENDBRANCH   1  11
BRANCH   4  24
ATOM     24  N   LIG    1        1.575   2.105   1.181  0.00  0.00    -0.270 N 
ATOM     25  H   LIG    1        1.081   2.381   2.023  0.00  0.00    +0.153 HD
ATOM     26  C   LIG    1        2.914   2.343   1.216  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1        3.434   2.991   2.113  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.569   1.784   0.168  0.00  0.00    -0.450 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.991   1.988   0.138  0.00  0.00    +0.237 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.673   0.884   0.926  0.00  0.00    +0.028 C 
ATOM     31  C   LIG    1        7.220   0.778   0.756  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        7.031  -0.716   0.715  0.00  0.00    -0.029 C 
ATOM     33  C   LIG    1        7.922  -1.575  -0.144  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        7.793  -2.659   0.958  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        7.369  -1.537   1.941  0.00  0.00    +0.007 C 
ATOM     36  C   LIG    1        5.573  -0.560   0.343  0.00  0.00    +0.013 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  24
TORSDOF 6