REMARK  Name = BDB050495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.465  -0.613   0.881  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.537  -2.611  -0.363  0.00  0.00    -0.027 C 
ATOM      3  C   LIG    1       -0.493  -1.944   0.187  0.00  0.00    -0.027 C 
BRANCH   2   4
ATOM      4  C   LIG    1        1.978  -2.194  -0.422  0.00  0.00    +0.053 C 
BRANCH   4   6
ATOM      5  C   LIG    1        2.709  -0.715  -2.372  0.00  0.00    -0.031 C 
ATOM      6  C   LIG    1        2.401  -1.907  -1.834  0.00  0.00    -0.027 C 
BRANCH   5   7
ATOM      7  C   LIG    1        2.657   0.630  -1.704  0.00  0.00    +0.027 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.040   1.266  -1.532  0.00  0.00    +0.004 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.920   0.518  -0.526  0.00  0.00    +0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1        7.138   0.491   0.671  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        6.259   1.229  -0.327  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   5   7
ENDBRANCH   4   6
ENDBRANCH   2   4
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.166   0.430   0.058  0.00  0.00    -0.027 C 
ATOM     13  C   LIG    1       -2.256   1.143   0.386  0.00  0.00    -0.031 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.023   1.090   1.677  0.00  0.00    +0.027 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.273   0.209   1.600  0.00  0.00    +0.005 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.335   0.745   0.636  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.586  -0.132   0.647  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -7.638   0.389  -0.294  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1       -7.596   1.402  -0.971  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -8.722  -0.412  -0.327  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1       -9.322   0.029  -0.963  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  12
TORSDOF 14