REMARK  Name = BDB017816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.353  -0.546  -2.683  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.919  -1.023  -2.041  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.288  -2.274  -2.546  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.444  -2.901  -2.118  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.234  -2.254  -1.162  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.886  -0.984  -0.652  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.319  -2.740  -3.586  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.713  -0.364  -1.109  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.899  -1.860  -3.279  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.759  -0.352   0.330  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.803  -1.030   0.956  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.346  -0.135   1.737  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.476  -0.071   2.681  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.649   1.461   2.851  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.291   2.087   2.477  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.706   1.059   1.646  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.698   0.969   0.760  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.346   0.778  -2.129  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1       -1.268   0.029  -1.723  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -1.217  -0.317  -0.775  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.549   1.071  -3.304  0.00  0.00    -0.275 OA
BRANCH  18  26
ATOM     22  C   LIG    1       -6.813   0.080   2.157  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -6.070  -0.263   0.889  0.00  0.00    +0.212 C 
ATOM     24  N   LIG    1       -4.813   0.308   0.725  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1       -4.052   0.001  -0.487  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -3.291   1.218  -1.020  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1       -2.564   2.021   0.074  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -2.678   1.371   1.449  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -4.134   1.058   1.780  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -6.575  -1.017   0.059  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 3