REMARK  Name = BDB015117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.623  -0.866   0.107  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.931  -1.640   0.329  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        1.702  -1.006   0.081  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.483  -1.609   0.414  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.484  -2.872   1.002  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        1.694  -3.521   1.258  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.904  -2.910   0.925  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1        6.694   0.282  -0.722  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        6.381  -1.025  -1.131  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        5.167  -1.648  -0.796  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        4.204  -0.992  -0.024  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.505   0.303   0.406  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        5.723   0.918   0.069  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.053   2.335  -0.850  0.00  0.00    +0.129 C 
ATOM     15  N   LIG    1        7.913   0.893  -1.043  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1        8.731   0.318  -2.110  0.00  0.00    +0.129 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.893  -1.389   0.513  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.988  -0.380   0.125  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.005  -0.276  -1.307  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -2.091  -0.065  -1.576  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.724   1.009   0.766  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.792   2.022   0.821  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.638   2.129  -0.374  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.860   1.231  -0.386  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.366   0.669   0.801  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.519  -0.126   0.759  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.181  -0.345  -0.449  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.691   0.220  -1.623  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.628   0.857   2.102  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.539   1.006  -1.593  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.608   1.998   2.038  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8