REMARK  Name = BDB049525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.125  -0.047  -0.723  0.00  0.00    -0.027 C 
ATOM      2  C   LIG    1       -2.449   0.179  -0.670  0.00  0.00    -0.027 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.327  -1.040   0.072  0.00  0.00    +0.053 C 
BRANCH   3   5
ATOM      4  C   LIG    1        1.901  -0.288   1.080  0.00  0.00    -0.027 C 
ATOM      5  C   LIG    1        0.558  -0.343   1.064  0.00  0.00    -0.027 C 
BRANCH   4   6
ATOM      6  C   LIG    1        2.866  -0.909   0.111  0.00  0.00    +0.053 C 
BRANCH   6   8
ATOM      7  C   LIG    1        4.900   0.479  -0.575  0.00  0.00    -0.027 C 
ATOM      8  C   LIG    1        3.600   0.148  -0.662  0.00  0.00    -0.027 C 
BRANCH   7   9
ATOM      9  C   LIG    1        5.937  -0.095   0.347  0.00  0.00    +0.053 C 
BRANCH   9  11
ATOM     10  C   LIG    1        8.249  -0.665  -0.594  0.00  0.00    -0.031 C 
ATOM     11  C   LIG    1        6.939  -0.910  -0.419  0.00  0.00    -0.027 C 
BRANCH  10  13
ATOM     12  C   LIG    1        9.515   1.401  -1.183  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        9.048   0.489  -0.060  0.00  0.00    +0.023 C 
ENDBRANCH  10  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   6   8
ENDBRANCH   4   6
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   2  14
ATOM     14  C   LIG    1       -3.460  -0.477   0.226  0.00  0.00    +0.053 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.388  -1.353  -0.563  0.00  0.00    -0.027 C 
ATOM     16  C   LIG    1       -5.691  -1.150  -0.823  0.00  0.00    -0.031 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.527   0.034  -0.426  0.00  0.00    +0.027 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -7.503  -0.334   0.695  0.00  0.00    +0.015 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -8.349   0.857   1.148  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -9.412   1.246   0.146  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1       -9.683   0.636  -0.875  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1      -10.071   2.371   0.512  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -9.765   2.752   1.357  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 14