REMARK  Name = BDB024057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032   0.275   3.735  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.557  -0.339   2.498  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.771  -1.044   2.510  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.220  -1.704   1.354  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.445  -2.572   1.344  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.516  -1.527   0.150  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -0.356  -0.747   0.097  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        0.126  -0.178   1.280  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.413  -0.566  -1.142  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -0.157  -0.376  -2.342  0.00  0.00    +0.052 C 
BRANCH  10  11
ATOM     11  C   LIG    1        0.597  -0.220  -3.614  0.00  0.00    +0.188 C 
ATOM     12  O   LIG    1        0.090  -0.606  -4.663  0.00  0.00    -0.287 OA
BRANCH  11  13
ATOM     13  C   LIG    1        1.938   0.394  -3.632  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        2.897  -0.072  -4.530  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        4.166   0.521  -4.561  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.424   1.592  -3.676  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        5.683   2.176  -3.703  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        6.681   1.732  -4.576  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.421   0.679  -5.447  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1        3.494   2.059  -2.822  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        5.167   0.074  -5.441  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.274   1.468  -2.825  0.00  0.00    +0.123 A 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   7   9
BRANCH   3  23
ATOM     23  O   LIG    1       -2.474  -1.181   3.678  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.415  -0.130   3.963  0.00  0.00    +0.200 C 
ATOM     25  C   LIG    1       -4.810  -0.779   4.045  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1       -3.091   0.368   5.385  0.00  0.00    +0.067 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -3.486   1.114   3.035  0.00  0.00    +0.348 C 
ATOM     28  O   LIG    1       -2.942   2.193   3.217  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.221   0.926   1.917  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1       -4.109   1.764   1.421  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7