REMARK  Name = BDB062121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.558  -0.227   0.704  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.860  -0.866  -0.341  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -1.237  -0.618  -1.671  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.271   0.273  -1.972  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.974   0.906  -0.943  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.612   0.644   0.391  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.249  -1.760  -0.058  0.00  0.00    +0.104 A 
ATOM      8  C   LIG    1        1.521  -1.363   0.332  0.00  0.00    +0.076 A 
ATOM      9  N   LIG    1        2.204  -2.552   0.471  0.00  0.00    -0.333 N 
ATOM     10  C   LIG    1        3.591  -2.715   0.830  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1        1.349  -3.575   0.172  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        0.159  -3.131  -0.160  0.00  0.00    -0.235 NA
BRANCH   8  13
ATOM     13  C   LIG    1        2.090  -0.038   0.537  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.445   0.394   1.821  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        2.976   1.672   2.014  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        3.151   2.530   0.923  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        2.792   2.105  -0.360  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        2.261   0.827  -0.550  0.00  0.00    +0.011 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.693   3.843   1.121  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1        4.136   4.904   1.283  0.00  0.00    -0.191 NA
ENDBRANCH  16  19
ENDBRANCH   8  13
ENDBRANCH   2   7
BRANCH   1  22
ATOM     21  C   LIG    1       -1.787   0.189   3.047  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -1.150  -0.507   1.986  0.00  0.00    -0.494 OA
ENDBRANCH   1  22
BRANCH   3  23
ATOM     23  O   LIG    1       -0.543  -1.166  -2.723  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1       -1.197  -2.356  -3.168  0.00  0.00    +0.277 C 
ENDBRANCH   3  23
BRANCH   5  25
ATOM     25  C   LIG    1       -4.103   1.854  -1.254  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.815   3.199  -0.772  0.00  0.00    -0.326 NA
ATOM     27  H   LIG    1       -4.548   3.831  -1.089  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -2.951   3.524  -1.206  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7