REMARK  Name = BDB058426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.454  -1.285   0.709  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.052  -2.465   0.153  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.431  -2.687   0.108  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.325  -1.742   0.616  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.828  -0.556   1.155  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.447  -0.331   1.202  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.942  -1.023   0.751  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.271   0.020  -0.213  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -1.720  -0.062  -1.065  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -5.961   0.477   0.134  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -4.651   0.068   0.421  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.609   0.326  -0.475  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.912   1.056  -1.636  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.220   1.448  -1.937  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.254   1.149  -1.055  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -7.099  -0.912   1.690  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -7.022   0.158   1.113  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -7.863   1.192   1.329  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -7.573   2.035   0.931  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        3.644  -2.084   0.498  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.610  -1.323   1.228  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.101  -0.102   0.482  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        5.546   1.021   1.197  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.028   2.147   0.525  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.077   2.152  -0.867  0.00  0.00    +0.018 A 
ATOM     26 BR   LIG    1        6.728   3.676  -1.777  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1        5.654   1.042  -1.593  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        5.173  -0.084  -0.919  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8