REMARK  Name = BDB026828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.108   1.221  -0.759  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.549   2.595  -0.888  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.288   3.566   0.097  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.863   4.836   0.024  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.706   5.159  -1.035  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.975   4.213  -2.021  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.401   2.942  -1.949  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.487   0.158   1.355  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.362   0.463   0.508  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.771   0.091   0.702  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.373  -0.406   1.911  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.725  -0.636   1.650  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.615  -1.122   2.615  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.111  -1.383   3.892  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.768  -1.166   4.188  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.944  -0.301   0.337  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -4.837  -0.372  -0.131  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -1.893  -0.680   3.211  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.781   0.125  -0.243  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.016   0.398  -1.995  0.00  0.00    -0.302 NA
ATOM     21  H   LIG    1        0.469   0.919  -2.746  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.663  -0.923  -1.890  0.00  0.00    +0.097 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.193  -0.896  -1.650  0.00  0.00    +0.099 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.804  -2.237  -1.696  0.00  0.00    -0.297 NA
ATOM     25  C   LIG    1        4.280  -2.153  -1.787  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        4.970  -1.739  -0.475  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        4.616  -2.618   0.598  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        3.194  -2.643   0.783  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        2.471  -3.064  -0.510  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7