REMARK  Name = BDB059937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730   1.815   1.140  0.00  0.00    +0.076 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.692   0.132   1.250  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -3.591  -0.702   1.079  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.306  -0.156   1.039  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.115   1.223   1.203  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -3.230   2.046   1.412  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -4.513   1.498   1.451  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.948  -0.393   1.349  0.00  0.00    -0.477 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -6.748   0.667  -0.770  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -6.661  -0.593   0.102  0.00  0.00    +0.180 C 
ATOM     11  C   LIG    1       -6.101  -1.777  -0.696  0.00  0.00    +0.065 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -8.087  -0.978   0.563  0.00  0.00    +0.254 C 
ATOM     13  O   LIG    1       -9.124  -0.535   0.079  0.00  0.00    -0.272 OA
ATOM     14  N   LIG    1       -8.148  -1.929   1.550  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1       -7.361  -1.982   2.187  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -9.067  -2.083   1.945  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.376   2.292  -0.270  0.00  0.00    +0.233 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.933   2.863  -0.298  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.006   2.043  -0.506  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.234   2.706  -0.576  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        4.419   1.994  -0.781  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.396   0.602  -0.909  0.00  0.00    +0.086 A 
ATOM     23  C   LIG    1        3.165  -0.056  -0.849  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        1.976   0.656  -0.644  0.00  0.00    +0.048 A 
BRANCH  22  25
ATOM     25  N   LIG    1        5.565  -0.144  -1.146  0.00  0.00    -0.149 NA
ATOM     26  N   LIG    1        6.366  -0.023  -0.193  0.00  0.00    -0.149 NA
BRANCH  26  27
ATOM     27  C   LIG    1        7.532  -0.776  -0.424  0.00  0.00    +0.086 A 
ATOM     28  C   LIG    1        7.895  -1.770   0.492  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        9.062  -2.516   0.309  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        9.882  -2.266  -0.790  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.540  -1.270  -1.703  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.373  -0.526  -1.517  0.00  0.00    +0.029 A 
ENDBRANCH  26  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9