REMARK  Name = BDB018106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.352  -1.824   0.635  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.196  -0.914   1.855  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.773  -0.387   2.008  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.222  -1.456   2.000  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -1.430  -1.186   2.654  0.00  0.00    +0.241 C 
ATOM      6  O   LIG    1       -1.567  -0.199   3.384  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.133  -2.401   0.886  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        1.285  -2.928   0.673  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        2.311  -1.037  -0.678  0.00  0.00    +0.168 C 
ATOM     10  O   LIG    1        1.348  -1.101  -1.440  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        5.449   1.510  -1.940  0.00  0.00    +0.214 A 
ATOM     12  N   LIG    1        4.271   1.534  -2.595  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        3.304   0.695  -2.143  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        3.458  -0.168  -1.062  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        4.692  -0.170  -0.411  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        5.703   0.683  -0.856  0.00  0.00    +0.068 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.141   3.158  -3.447  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        6.482   2.332  -2.338  0.00  0.00    -0.480 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -2.618  -2.143   2.388  0.00  0.00    +0.256 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.862  -1.906   3.029  0.00  0.00    -0.363 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.407  -0.605   2.873  0.00  0.00    +0.234 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.201   0.133   1.545  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1       -3.213   1.086   1.542  0.00  0.00    -0.309 N 
ATOM     24  H   LIG    1       -2.608   1.185   2.356  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -2.811   1.750   0.413  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -1.830   2.483   0.396  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -3.621   1.495  -0.789  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -4.643   0.546  -0.687  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -5.422   0.282  -1.815  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -5.182   0.953  -3.019  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.154   1.894  -3.106  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -3.367   2.168  -1.988  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -4.907  -0.159   0.500  0.00  0.00    -0.231 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7