REMARK  Name = BDB009031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.070   0.999  -1.335  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.723  -0.121  -1.072  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.704  -0.543  -1.988  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.855   0.155  -3.193  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.063   1.268  -3.465  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.108   1.689  -2.539  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        0.847   0.115   1.424  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        1.387   1.022   0.802  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1        1.062   1.481  -0.463  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        1.586   2.300  -0.760  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.587   1.785   1.391  0.00  0.00    +0.201 C 
BRANCH  11  12
ATOM     12  O   LIG    1        2.482   3.174   1.050  0.00  0.00    -0.383 OA
ATOM     13  H   LIG    1        1.748   3.532   1.583  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        3.909   1.264   0.828  0.00  0.00    +0.045 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.215  -0.165   1.283  0.00  0.00    +0.038 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.538  -0.643   0.738  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        5.595  -1.327  -0.484  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        6.820  -1.754  -0.998  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.998  -1.498  -0.298  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.952  -0.815   0.915  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.728  -0.387   1.431  0.00  0.00    +0.003 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -2.553  -1.764  -1.712  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.155  -1.810  -0.310  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -4.220  -0.831   0.074  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.755   0.163  -0.918  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -6.064   0.820  -0.468  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.993   1.235   0.996  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.719   0.028   1.895  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -4.674  -0.899   1.338  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.142  -1.928   2.267  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.540  -2.021   3.424  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.197  -2.771   1.748  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -2.808  -3.471   2.370  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.691  -2.725   0.488  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8