REMARK  Name = BDB026683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.494   0.344  -0.346  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.650   1.460  -0.397  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.262   1.263  -0.355  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.269   2.198  -0.345  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        0.131   1.531  -0.279  0.00  0.00    +0.151 A 
ATOM      6  N   LIG    1        0.357   0.151  -0.284  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.740  -0.026  -0.306  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.575  -1.156  -0.239  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.960  -0.948  -0.272  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.622  -0.885  -0.311  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.780  -0.793   0.472  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -2.752  -1.801   0.417  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.952  -1.771   1.322  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -5.134  -2.487   0.692  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -4.746  -3.836   0.129  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -3.511  -3.921  -0.456  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -3.317  -4.787  -0.943  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -5.524  -4.787   0.103  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -2.551  -2.908  -0.412  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.391  -3.020  -1.175  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -0.429  -2.007  -1.131  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.174   2.183  -0.356  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1       -1.792   2.750   0.760  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1       -3.009   3.348   0.722  0.00  0.00    -0.221 NA
ATOM     25  C   LIG    1       -3.616   3.423  -0.482  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -3.076   2.913  -1.651  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -1.837   2.284  -1.584  0.00  0.00    +0.018 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -1.162   2.610   1.983  0.00  0.00    -0.479 OA
ATOM     29  C   LIG    1       -1.737   3.418   3.004  0.00  0.00    +0.279 C 
ENDBRANCH  23  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1        8.160  -0.119   0.439  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        6.740  -0.330   0.309  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.290  -0.925   0.991  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.963   0.576  -0.386  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        6.418   1.542  -0.986  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4