REMARK  Name = BDB056859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.912   0.603   2.023  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.916   0.427   0.936  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.691   0.729  -0.485  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.663   1.209  -1.192  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.974   0.384  -1.147  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        3.199   0.496  -2.339  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.771  -0.048  -0.077  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.127  -0.011   1.159  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.114  -0.498  -0.122  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.765  -0.897   1.058  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        7.092  -1.345   1.043  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        7.796  -1.404  -0.161  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        7.163  -1.012  -1.344  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.835  -0.564  -1.323  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        9.202  -1.870  -0.234  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        9.878  -1.945  -1.243  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        9.698  -2.222   0.966  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       10.614  -2.505   0.765  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.578   1.572  -0.619  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -1.671   0.741  -0.629  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.713   1.380  -0.028  0.00  0.00    +0.138 A 
ATOM     22  C   LIG    1       -2.317   2.639   0.361  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.957   2.763  -0.016  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.973   0.648   0.015  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.075  -0.728   0.250  0.00  0.00    +0.137 A 
ATOM     26  C   LIG    1       -5.306  -1.402   0.231  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -6.489  -0.695  -0.018  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -7.801  -1.431  -0.033  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.422   0.696  -0.235  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -7.662   1.505  -0.508  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -5.170   1.345  -0.220  0.00  0.00    +0.017 A 
BRANCH  25  32
ATOM     32  N   LIG    1       -2.905  -1.515   0.588  0.00  0.00    +0.057 N 
ATOM     33  O   LIG    1       -2.597  -2.430  -0.189  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1       -2.339  -1.255   1.659  0.00  0.00    -0.126 OA
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 6