REMARK  Name = BDB007805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.222  -2.363   1.815  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.094  -1.165   1.597  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.033  -0.441   1.931  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.928   0.563   1.998  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.193  -0.407   0.948  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.503  -0.852   1.131  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -3.548  -0.168   0.524  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -3.315   0.927  -0.224  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -2.040   1.333  -0.407  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -0.947   0.704   0.149  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.851  -0.611   0.772  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -4.887  -1.620   0.652  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.999   0.041   0.132  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -5.998  -0.096  -1.395  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -7.297   0.433  -2.008  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.880   1.643  -1.274  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.837   2.385  -0.449  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.224   1.482   0.623  0.00  0.00    +0.022 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        2.087  -1.023   2.747  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.767  -2.290   2.202  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.994  -2.491   2.930  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        4.691  -2.119   2.347  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.099  -2.311   0.691  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.321  -1.538   0.346  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.995  -0.120   0.084  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.151   0.687  -0.473  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.238   0.055  -1.098  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.281   0.825  -1.631  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.232   2.217  -1.568  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.146   2.849  -0.967  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.311  -1.448  -1.134  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.109   2.089  -0.425  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.952  -2.107  -0.864  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8