REMARK  Name = BDB001722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.818  -0.632   3.092  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        3.066  -1.489   2.014  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        2.015  -2.168   1.393  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.700  -2.005   1.842  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        0.452  -1.144   2.917  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.502  -0.463   3.538  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.949   0.130   3.745  0.00  0.00    +0.057 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.099   1.555   3.196  0.00  0.00    +0.170 C 
BRANCH   8  13
ATOM      9  C   LIG    1        5.087   2.226  -1.778  0.00  0.00    +0.069 C 
ATOM     10  C   LIG    1        5.064   1.849  -0.347  0.00  0.00    +0.081 A 
ATOM     11  N   LIG    1        6.031   1.080   0.168  0.00  0.00    -0.083 NA
ATOM     12  O   LIG    1        5.711   0.909   1.496  0.00  0.00    -0.359 OA
ATOM     13  C   LIG    1        4.575   1.601   1.785  0.00  0.00    +0.152 A 
ATOM     14  C   LIG    1        4.120   2.210   0.641  0.00  0.00    +0.071 A 
ENDBRANCH   8  13
BRANCH   8  15
ATOM     15  C   LIG    1        5.017   2.339   4.116  0.00  0.00    +0.316 C 
ATOM     16  O   LIG    1        4.597   2.928   5.106  0.00  0.00    -0.250 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.339   2.309   3.837  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        6.592   1.822   3.026  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -0.438  -2.723   1.161  0.00  0.00    +0.035 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.102  -1.847   0.098  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.241  -2.592  -0.597  0.00  0.00    +0.059 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.930  -1.744  -1.604  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -2.639  -1.543  -2.936  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -1.609  -2.038  -3.865  0.00  0.00    +0.088 C 
ATOM     25  O   LIG    1       -3.566  -0.677  -3.442  0.00  0.00    -0.440 OA
ATOM     26  C   LIG    1       -4.381  -0.389  -2.378  0.00  0.00    +0.228 A 
ATOM     27  N   LIG    1       -4.037  -1.002  -1.260  0.00  0.00    -0.214 NA
BRANCH  26  28
ATOM     28  C   LIG    1       -5.488   0.533  -2.622  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -5.718   1.100  -3.884  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -6.787   1.978  -4.089  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.638   2.300  -3.034  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.423   1.745  -1.775  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.355   0.868  -1.571  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 10