REMARK  Name = BDB023684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.398  -0.877   0.066  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.645  -1.902   0.606  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.222  -2.715  -0.255  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        0.725  -3.845   0.643  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1       -0.365  -3.981   1.695  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.827  -2.540   1.902  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -1.294  -0.608  -1.133  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.418  -1.911  -0.760  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.955  -0.861  -0.038  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        1.264  -0.223   0.345  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.997  -0.249  -0.877  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        4.338  -0.418  -0.152  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        2.985  -1.230  -2.085  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        3.738  -1.177  -3.048  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        2.003  -2.193  -1.892  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        2.599   1.179  -1.245  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.390   1.425  -1.927  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.982   2.725  -2.240  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        1.782   3.804  -1.886  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        1.235   5.563  -2.302  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        2.985   3.593  -1.220  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.388   2.292  -0.899  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        0.136  -4.545   2.893  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        0.480  -5.431   2.681  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.273  -0.039   1.011  0.00  0.00    +0.146 C 
BRANCH  25  30
ATOM     26  C   LIG    1        0.103   4.454   1.633  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -0.747   3.319   1.213  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -1.627   3.459   0.216  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -2.235   2.227   0.074  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -1.735   1.360   0.994  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -0.782   2.010   1.745  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
BRANCH  25  32
ATOM     32  C   LIG    1       -3.794  -0.136   0.721  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -4.373  -1.435   1.295  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -4.197  -0.034  -0.755  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 6