REMARK  Name = BDB045865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.239  -0.084   0.087  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        0.573  -1.249   0.403  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -0.776  -0.985   0.152  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.767  -1.962   0.308  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1       -1.433  -3.190   0.738  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.041  -3.483   1.018  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.853   0.335  -0.274  0.00  0.00    +0.187 A 
ATOM      8  C   LIG    1        0.921  -2.557   0.851  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.358   0.860  -0.376  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.429   0.759   0.218  0.00  0.00    +0.100 A 
ATOM     11  C   LIG    1        4.621   1.253  -0.814  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        3.253   0.968  -0.848  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1        2.666   0.177   0.150  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        3.463  -0.297   1.196  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.834  -0.015   1.225  0.00  0.00    +0.019 A 
BRANCH  10  17
ATOM     16  O   LIG    1        7.573   0.553   1.236  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1        6.898   1.008   0.326  0.00  0.00    +0.340 C 
BRANCH  17  18
ATOM     18  O   LIG    1        7.429   1.768  -0.654  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        6.754   2.055  -1.310  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
BRANCH  11  20
ATOM     20  O   LIG    1        5.164   2.031  -1.806  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        4.442   2.319  -2.398  0.00  0.00    +0.292 HD
ENDBRANCH  11  20
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -2.030   1.121  -0.601  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -2.063   1.994  -1.468  0.00  0.00    -0.283 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.304   0.923   0.129  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -4.474   0.612  -0.600  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -5.691   0.477   0.093  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -5.747   0.639   1.476  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.591   0.954   2.186  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -3.372   1.107   1.520  0.00  0.00    +0.052 A 
ATOM     30 CL   LIG    1       -2.010   1.559   2.482  0.00  0.00    -0.083 Cl
BRANCH  25  31
ATOM     31  C   LIG    1       -4.449   0.412  -2.099  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -4.463   1.569  -2.804  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.530  -0.298  -2.538  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -3.370  -0.307  -2.512  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 7