REMARK  Name = BDB014726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.000   4.816   1.592  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.982   3.682   1.447  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.817   2.828   0.368  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.594   2.759  -0.460  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.991   1.403  -0.300  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.710   0.894  -0.638  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.620  -0.400  -0.309  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.809  -0.715   0.240  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.675   0.332   0.244  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.069   0.381   0.766  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.732   1.676   0.244  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.893   3.549   2.264  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.241   1.663  -1.217  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        0.020   2.632  -1.427  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.575   1.385  -1.605  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1        2.325   2.416  -2.193  0.00  0.00    +0.144 A 
ATOM     17  F   LIG    1        1.756   3.620  -2.365  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        3.641   2.233  -2.603  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.246   0.989  -2.428  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        3.535  -0.069  -1.843  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1        2.202   0.143  -1.442  0.00  0.00    +0.034 A 
BRANCH  20  22
ATOM     22  C   LIG    1        4.176  -1.362  -1.662  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        3.845  -2.287  -0.692  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        4.690  -3.345  -0.862  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        4.727  -4.559  -0.084  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        5.561  -3.178  -1.872  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.247  -1.974  -2.357  0.00  0.00    +0.142 A 
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -2.033  -2.067   0.737  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.719  -2.183   2.200  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -1.342  -3.519   2.791  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -0.307  -2.435   2.666  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5