REMARK  Name = BDB050496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107   2.556   1.446  0.00  0.00    -0.027 C 
ATOM      2  C   LIG    1       -2.415   2.741   1.691  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.395   2.688   0.130  0.00  0.00    +0.053 C 
BRANCH   3   5
ATOM      4  C   LIG    1        1.476   1.028  -0.416  0.00  0.00    -0.027 C 
ATOM      5  C   LIG    1        0.181   1.367  -0.296  0.00  0.00    -0.027 C 
BRANCH   4   6
ATOM      6  C   LIG    1        2.685   1.880  -0.156  0.00  0.00    +0.053 C 
BRANCH   6   8
ATOM      7  C   LIG    1        4.705   0.877   1.045  0.00  0.00    -0.031 C 
ATOM      8  C   LIG    1        3.453   1.365   1.028  0.00  0.00    -0.027 C 
BRANCH   7   9
ATOM      9  C   LIG    1        5.649   0.756  -0.117  0.00  0.00    +0.027 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.645  -0.636  -0.757  0.00  0.00    +0.004 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.147  -1.736   0.184  0.00  0.00    +0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1        4.993  -3.690  -0.983  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        6.308  -3.093  -0.506  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       -3.471   3.154   0.705  0.00  0.00    +0.027 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.192   1.968   0.056  0.00  0.00    +0.004 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.973   1.113   1.058  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.837   0.037   0.392  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.021  -1.028  -0.343  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.920  -2.142  -0.879  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.131  -3.196  -1.623  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1       -3.926  -3.181  -1.809  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.921  -4.194  -2.084  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -6.865  -4.081  -1.865  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 16