REMARK  Name = BDB058043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.083   0.850  -0.851  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.163   0.598  -1.877  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.008  -0.148  -1.626  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.244  -0.623  -0.335  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.670  -0.383   0.694  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.823   0.363   0.439  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -7.055  -0.840   0.536  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -6.254   0.123  -0.052  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.882   0.101  -0.168  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.526   1.273  -0.823  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.728   2.082  -1.145  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -5.801   3.150  -1.711  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -3.280   1.641  -1.149  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.817   1.273  -0.611  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -8.175   1.523  -0.612  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.996   0.565  -0.020  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -8.443  -0.602   0.548  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -5.208  -2.359   1.065  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -4.878  -3.233   1.455  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.548  -1.782   0.560  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -6.543  -2.091   1.153  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -7.298  -2.871   1.721  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1        1.442  -1.442  -0.046  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        2.694  -0.941  -0.373  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        2.989   0.461  -0.711  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        4.350   0.926  -0.156  0.00  0.00    +0.125 C 
ATOM     27  N   LIG    1        5.468   0.062  -0.609  0.00  0.00    -0.312 N 
ATOM     28  C   LIG    1        5.077  -1.320  -0.979  0.00  0.00    +0.125 C 
ATOM     29  C   LIG    1        3.863  -1.811  -0.179  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1        1.266  -2.542   0.472  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1        6.544   0.122   0.302  0.00  0.00    +0.121 A 
ATOM     32  N   LIG    1        6.903  -0.977   1.000  0.00  0.00    -0.240 NA
ATOM     33  C   LIG    1        7.932  -0.877   1.871  0.00  0.00    +0.113 A 
ATOM     34  C   LIG    1        8.646   0.285   2.094  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        8.284   1.413   1.375  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        7.225   1.331   0.471  0.00  0.00    +0.043 A 
ENDBRANCH  27  31
ENDBRANCH   4  23
TORSDOF 4