REMARK  Name = BDB059626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.886   0.055  -0.879  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.826   0.703  -0.076  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        5.098   0.154   0.055  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        5.445  -0.992  -0.599  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        4.521  -1.586  -1.385  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        3.238  -1.109  -1.558  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        6.148   0.774   0.899  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1        5.821   1.931   1.536  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        6.744   2.519   2.328  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        8.016   2.022   2.515  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        8.354   0.853   1.843  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        7.412   0.206   1.042  0.00  0.00    +0.045 A 
BRANCH  11  13
ATOM     13  C   LIG    1        9.712   0.301   2.037  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       10.300   0.358   3.102  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       10.247  -0.220   0.914  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        9.740  -0.059   0.095  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  N   LIG    1        0.495  -0.234  -1.223  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        0.650  -1.200  -0.969  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.533   0.653  -1.013  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.385   1.864  -0.905  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -0.881   0.244  -1.218  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.853  -0.809  -1.781  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.250  -0.348  -1.919  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -4.001  -1.312  -2.731  0.00  0.00    +0.104 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.886  -0.136  -0.604  0.00  0.00    +0.084 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.276   0.513  -0.700  0.00  0.00    +0.015 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.832   0.950   0.661  0.00  0.00    +0.001 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.004  -0.167   1.696  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -8.312  -0.938   0.928  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -6.884  -1.341   1.263  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 12