REMARK  Name = BDB001726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.739   0.182  -1.022  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.998   1.125  -0.020  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.233   1.772   0.043  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.233   1.485  -0.895  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.975   0.540  -1.895  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.740  -0.107  -1.957  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.589  -0.533  -1.075  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.537  -1.863  -0.315  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.850  -2.643  -0.397  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.770  -2.800   2.847  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.304  -2.084   1.677  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.963  -1.995   0.344  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        3.843  -1.153  -0.298  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.678  -0.767   0.648  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.404  -1.300   1.882  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.823   0.136   0.557  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.144   0.723  -0.677  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.233   1.591  -0.795  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.015   1.884   0.320  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.710   1.309   1.552  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.621   0.441   1.670  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.586   2.156  -0.805  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.535   1.435   0.165  0.00  0.00    +0.221 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.937   0.125  -0.316  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1       -6.574  -0.030  -1.496  0.00  0.00    -0.158 NA
ATOM     26  C   LIG    1       -6.731  -1.357  -1.536  0.00  0.00    +0.245 A 
ATOM     27  N   LIG    1       -6.218  -2.036  -0.469  0.00  0.00    -0.223 NA
ATOM     28  C   LIG    1       -5.724  -1.079   0.282  0.00  0.00    +0.220 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -6.774   2.228   0.520  0.00  0.00    +0.330 C 
ATOM     30  O   LIG    1       -7.674   1.847   1.257  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.827   3.475   0.014  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.694   3.823   0.319  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10