REMARK  Name = BDB064741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.302  -2.762  -0.667  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.641  -2.673  -0.226  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -2.265  -3.802   0.323  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.569  -5.008   0.439  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.249  -5.081   0.003  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1        0.388  -3.973  -0.546  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.999  -0.707  -0.419  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        0.395  -1.594  -1.221  0.00  0.00    +0.014 C 
BRANCH   7  10
ATOM      9  O   LIG    1        0.905   1.132  -1.874  0.00  0.00    -0.271 OA
ATOM     10  C   LIG    1        1.536   0.548  -0.994  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1        2.728   1.021  -0.452  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        3.701   0.143   0.208  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1        4.585   0.903   1.193  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.230   2.119   0.538  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        4.162   3.012  -0.084  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        3.282   2.231  -1.056  0.00  0.00    +0.108 C 
ENDBRANCH   7  10
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  C   LIG    1       -2.379  -1.410  -0.356  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -2.819  -0.714   0.703  0.00  0.00    +0.009 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.387   0.632   0.563  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -2.745   1.606  -0.219  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -3.279   2.889  -0.307  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.440   3.229   0.377  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -5.064   2.265   1.163  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -4.545   0.976   1.267  0.00  0.00    +0.053 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -2.673   3.852  -1.061  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -1.876   3.467  -1.467  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
BRANCH  23  27
ATOM     27  O   LIG    1       -6.201   2.550   1.861  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -6.445   3.474   1.685  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   2  17
BRANCH   5  29
ATOM     29  O   LIG    1        0.465  -6.239   0.101  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1       -0.107  -6.927   0.479  0.00  0.00    +0.292 HD
ENDBRANCH   5  29
TORSDOF 7