REMARK  Name = BDB051156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704   0.148  -0.127  0.00  0.00    -0.027 C 
ATOM      2  C   LIG    1       -1.965   0.105  -0.590  0.00  0.00    -0.027 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.198   0.799   1.129  0.00  0.00    +0.053 C 
BRANCH   3   5
ATOM      4  C   LIG    1        1.584  -0.411   2.502  0.00  0.00    -0.027 C 
ATOM      5  C   LIG    1        0.317  -0.233   2.091  0.00  0.00    -0.027 C 
BRANCH   4   6
ATOM      6  C   LIG    1        2.792   0.393   2.116  0.00  0.00    +0.053 C 
BRANCH   6   8
ATOM      7  C   LIG    1        3.838   0.126  -0.152  0.00  0.00    -0.031 C 
ATOM      8  C   LIG    1        3.619  -0.328   1.093  0.00  0.00    -0.027 C 
BRANCH   7   9
ATOM      9  C   LIG    1        4.664  -0.600  -1.176  0.00  0.00    +0.027 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.858   0.221  -1.673  0.00  0.00    +0.004 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.894   0.587  -0.602  0.00  0.00    +0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1        8.279  -1.549  -0.788  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        7.534  -0.594   0.131  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   6   8
ENDBRANCH   4   6
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   2  14
ATOM     14  C   LIG    1       -3.198   0.697   0.027  0.00  0.00    +0.053 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.146  -0.382   0.467  0.00  0.00    -0.027 C 
ATOM     16  C   LIG    1       -5.355  -0.665  -0.048  0.00  0.00    -0.031 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.014   0.004  -1.221  0.00  0.00    +0.027 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.940   1.160  -0.822  0.00  0.00    +0.015 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -8.105   0.766   0.088  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -9.126  -0.110  -0.600  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1       -9.177  -0.331  -1.799  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1      -10.030  -0.624   0.267  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -9.884  -0.354   1.193  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 15