REMARK  Name = BDB024068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -1.358  -2.151  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -0.008  -0.674  -1.080  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.351  -0.085  -0.984  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1       -2.495  -0.748  -1.438  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.771  -0.173  -1.306  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -4.952  -0.926  -1.847  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -3.899   1.059  -0.644  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -2.757   1.771  -0.242  0.00  0.00    -0.008 A 
ATOM      9  C   LIG    1       -2.832   3.144   0.360  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -1.494   1.171  -0.386  0.00  0.00    +0.015 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -5.144   1.608  -0.479  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.774   1.345   0.788  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -6.182   2.716   1.363  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -7.090   0.599   0.494  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -4.995   0.585   1.895  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -4.389   1.082   2.834  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.999  -0.758   1.750  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -4.411  -1.073   2.467  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  19
ATOM     19  C   LIG    1        1.771  -1.976  -2.272  0.00  0.00    +0.191 C 
ATOM     20  O   LIG    1        1.930  -2.934  -3.025  0.00  0.00    -0.287 OA
BRANCH  19  26
ATOM     21  C   LIG    1        6.910  -1.129   1.544  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        6.122  -0.229   0.817  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        5.047  -0.646   0.044  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        4.753  -2.024   0.004  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.665  -2.444  -0.770  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.905  -1.501  -1.463  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1        3.288  -0.169  -1.393  0.00  0.00    +0.226 A 
ATOM     28  C   LIG    1        5.538  -2.936   0.727  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        4.329   0.263  -0.641  0.00  0.00    -0.212 NA
ATOM     30  C   LIG    1        6.614  -2.488   1.495  0.00  0.00    +0.046 A 
BRANCH  21  32
ATOM     31  C   LIG    1        8.772  -1.424   2.996  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        7.928  -0.553   2.252  0.00  0.00    -0.495 OA
ENDBRANCH  21  32
BRANCH  27  33
ATOM     33  O   LIG    1        2.591   0.755  -2.144  0.00  0.00    -0.479 OA
ATOM     34  C   LIG    1        3.085   2.085  -2.021  0.00  0.00    +0.279 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9