REMARK  Name = BDB060629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.338   0.074  -1.024  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.431   1.104  -1.190  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1       -0.791   2.051  -1.196  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.094  -1.098  -1.288  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.127   2.904   2.039  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -4.029   1.858   0.967  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -2.780   1.463   0.473  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -2.681   0.464  -0.513  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -3.833  -0.203  -0.976  0.00  0.00    +0.061 A 
ATOM     10  N   LIG    1       -3.774  -1.127  -2.049  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1       -2.852  -1.581  -2.068  0.00  0.00    +0.147 HD
ATOM     12  C   LIG    1       -4.881  -2.098  -2.072  0.00  0.00    +0.154 C 
ATOM     13  C   LIG    1       -6.254  -1.448  -1.813  0.00  0.00    +0.237 C 
ATOM     14  N   LIG    1       -6.258  -0.386  -0.941  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1       -7.164  -0.016  -0.690  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -7.316  -1.886  -2.254  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.870  -2.827  -3.410  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.081   0.210  -0.469  0.00  0.00    +0.056 A 
ATOM     19  C   LIG    1       -5.180   1.223   0.489  0.00  0.00    +0.028 A 
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1        0.869   0.876  -1.791  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.852   0.158  -0.869  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.133   0.957   0.405  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.178   0.333   1.228  0.00  0.00    -0.330 N 
ATOM     24  C   LIG    1        4.535   0.435   0.904  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.500  -0.355   1.572  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        6.867  -0.258   1.248  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        7.305   0.641   0.284  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.380   1.448  -0.362  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.095  -1.359   2.623  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1        3.711  -1.064   3.172  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1        5.019   1.346  -0.051  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        2.760  -0.836   2.011  0.00  0.00    +0.105 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5