REMARK  Name = BDB034771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.553  -4.869   0.650  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.195  -3.483   0.736  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.073  -2.955   0.466  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.005  -1.571   0.619  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.100  -0.758   0.399  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.308  -1.363   0.023  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.358  -2.773  -0.128  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.305  -1.244   0.999  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.238  -3.585   0.094  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.078  -2.427   1.047  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.271  -2.510   1.291  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.475  -0.626  -0.270  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -4.322  -1.087   0.056  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.667   0.743  -0.555  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -4.816   1.416  -0.116  0.00  0.00    +0.057 A 
ATOM     16 BR   LIG    1       -6.180   0.534   0.861  0.00  0.00    -0.047 Br
ATOM     17  C   LIG    1       -4.955   2.768  -0.402  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1       -4.044   3.491  -1.091  0.00  0.00    -0.262 NA
ATOM     19  C   LIG    1       -2.950   2.827  -1.517  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -2.722   1.480  -1.276  0.00  0.00    +0.044 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  C   LIG    1        1.826   0.089   1.182  0.00  0.00    +0.130 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.342   0.671  -0.138  0.00  0.00    +0.056 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.921   2.092  -0.014  0.00  0.00    +0.062 C 
ATOM     24  C   LIG    1        1.857   3.113   0.395  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        3.555   2.515  -1.343  0.00  0.00    +0.041 C 
BRANCH  23  26
ATOM     26  O   LIG    1        3.938   2.110   0.986  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1        4.628   1.471   0.732  0.00  0.00    +0.210 HD
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 6