REMARK  Name = BDB046037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.706  -0.014   0.547  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.647   1.968   0.250  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.569   0.744   0.260  0.00  0.00    +0.215 C 
ATOM      4  N   LIG    1        1.635  -0.071  -0.025  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        1.558  -1.083   0.049  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1        2.952   0.471  -0.295  0.00  0.00    +0.184 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.920  -0.673  -0.568  0.00  0.00    +0.180 C 
ATOM      8  O   LIG    1        3.562  -1.850  -0.497  0.00  0.00    -0.290 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.333  -0.347  -0.923  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.806   0.969  -0.985  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        7.140   1.208  -1.323  0.00  0.00    +0.019 A 
ATOM     12 BR   LIG    1        7.777   2.987  -1.407  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        8.008   0.153  -1.600  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        7.541  -1.158  -1.538  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.210  -1.408  -1.201  0.00  0.00    +0.011 A 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.805   0.928   1.031  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.079   0.220   1.244  0.00  0.00    -0.297 N 
ATOM     18  C   LIG    1       -3.213  -0.418   2.476  0.00  0.00    +0.330 A 
ATOM     19  O   LIG    1       -2.360  -0.400   3.361  0.00  0.00    -0.246 OA
ATOM     20  N   LIG    1       -4.369  -1.108   2.671  0.00  0.00    -0.275 N 
ATOM     21  H   LIG    1       -4.475  -1.570   3.560  0.00  0.00    +0.173 HD
ATOM     22  C   LIG    1       -5.335  -1.322   1.742  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1       -6.323  -2.006   1.990  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.133  -0.683   0.417  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -6.213  -1.015  -0.574  0.00  0.00    +0.111 C 
ATOM     26  S   LIG    1       -5.726  -0.724  -2.295  0.00  0.00    -0.155 S 
ATOM     27  C   LIG    1       -5.000   0.906  -2.045  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -3.815   0.831  -1.083  0.00  0.00    +0.064 C 
ATOM     29  C   LIG    1       -4.041   0.089   0.228  0.00  0.00    +0.033 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6