REMARK  Name = BDB017690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.439   0.128  -1.990  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.823   0.166  -1.374  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        2.567  -1.011  -1.222  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.853  -0.965  -0.672  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        4.428   0.244  -0.253  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        5.788   0.218   0.340  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1        6.338   1.393   0.847  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.640   2.045   1.194  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        7.542   1.358   1.671  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1        8.522   0.345   1.091  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        7.862  -1.030   0.947  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        6.466  -0.947   0.390  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.856  -2.219  -0.081  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        6.459  -3.287  -0.028  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        3.690   1.421  -0.439  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        4.580  -2.154  -0.562  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        4.187  -3.029  -0.876  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        2.404   1.381  -0.991  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1       -3.349   0.024  -0.399  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -3.082   1.242  -1.181  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.787   1.073  -2.007  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -0.571   0.844  -1.196  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -0.899   0.156   0.073  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -2.167  -0.732   0.053  0.00  0.00    +0.120 C 
BRANCH  19  32
ATOM     25  C   LIG    1      -10.294   0.748   1.438  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -8.949   0.189   1.198  0.00  0.00    +0.194 A 
ATOM     27  O   LIG    1       -8.018   1.051   0.683  0.00  0.00    -0.440 OA
ATOM     28  C   LIG    1       -6.895   0.283   0.566  0.00  0.00    +0.157 A 
ATOM     29  C   LIG    1       -7.203  -0.987   1.014  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1       -6.205  -1.961   0.993  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1       -4.932  -1.590   0.516  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1       -4.621  -0.286   0.065  0.00  0.00    +0.033 A 
ATOM     33  C   LIG    1       -5.648   0.677   0.088  0.00  0.00    +0.071 A 
ATOM     34  N   LIG    1       -8.514  -1.038   1.413  0.00  0.00    -0.214 NA
ENDBRANCH  19  32
ENDBRANCH   1  22
TORSDOF 3