REMARK  Name = BDB019973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.750   2.967   0.062  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.351   2.290  -0.479  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.626   0.967  -0.115  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.186   0.324   0.826  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.304   0.973   1.371  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.575   2.293   0.979  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.152   5.314   1.683  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        0.643   5.464   0.417  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.047   4.348  -0.333  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.770   4.594  -1.510  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.067   5.897  -1.894  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        1.633   6.929  -1.084  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        0.936   6.742   0.056  0.00  0.00    -0.260 NA
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1       -1.797   0.286  -0.733  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -1.695  -1.079  -0.876  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1       -0.852  -1.562  -0.604  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -2.761   0.947  -1.099  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.783  -1.896  -1.372  0.00  0.00    +0.079 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.489  -2.498  -0.183  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -4.484  -1.676   0.602  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -4.963  -2.821  -0.244  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  22
ATOM     22  C   LIG    1       -2.196  -2.887  -2.348  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -2.661  -4.319  -2.473  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -1.297  -4.023  -1.912  0.00  0.00    +0.006 C 
ENDBRANCH  18  22
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  25
ATOM     25  C   LIG    1        2.204   0.259   2.358  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  N   LIG    1        2.856  -0.880   1.743  0.00  0.00    -0.313 N 
ATOM     27  C   LIG    1        2.386  -2.201   1.761  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1        1.387  -2.713   2.386  0.00  0.00    -0.268 NA
ATOM     29  H   LIG    1        0.936  -2.005   2.964  0.00  0.00    +0.190 HD
ATOM     30  N   LIG    1        3.252  -2.885   0.905  0.00  0.00    -0.320 N 
ATOM     31  C   LIG    1        3.087  -4.274   0.560  0.00  0.00    +0.152 C 
ATOM     32  C   LIG    1        4.178  -2.008   0.365  0.00  0.00    +0.106 A 
ATOM     33  C   LIG    1        3.941  -0.791   0.873  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7