REMARK  Name = BDB062084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.168   0.746   0.264  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1        0.312  -0.266   0.017  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -1.014   0.058  -0.038  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -1.454   1.389   0.122  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -0.571   2.396   0.385  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        0.735   2.046   0.449  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.896  -1.105  -0.251  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.970  -1.389   0.613  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.799  -2.495   0.395  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.555  -3.338  -0.686  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -4.675  -4.832  -0.982  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -2.489  -3.091  -1.545  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.664  -1.985  -1.324  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -2.854   1.839   0.007  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -3.644   1.530  -1.115  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.973   1.960  -1.204  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.524   2.717  -0.175  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -7.318   3.299  -0.294  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.760   3.055   0.938  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.433   2.621   1.023  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1        2.523   0.508   0.345  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.867  -0.867   0.160  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.385  -1.013   0.273  0.00  0.00    +0.042 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.120  -0.249  -0.835  0.00  0.00    +0.018 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.633  -0.485  -0.833  0.00  0.00    +0.078 C 
BRANCH  25  26
ATOM     26  N   LIG    1        7.290   0.030   0.362  0.00  0.00    -0.330 NA
ATOM     27  H   LIG    1        6.950  -0.459   1.188  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        7.042   1.011   0.493  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8