REMARK  Name = BDB023030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.833  -0.043   0.310  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.160  -0.697   1.385  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.037  -1.436   1.060  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.403  -2.032   2.219  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.441  -1.573   3.202  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.448  -1.544  -0.256  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.200  -0.979  -1.238  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.410  -0.754   2.681  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.315  -0.230  -0.924  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.307   3.639   0.150  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -4.534   2.398   0.389  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.056   1.410   1.120  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.094   0.460   1.144  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.395  -0.775   1.833  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -2.970   0.811   0.430  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -3.243   2.071  -0.073  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -0.395  -1.894   4.596  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -0.330  -2.181   5.720  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.589  -2.265  -0.542  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.639  -2.350  -1.557  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.893  -1.821  -0.052  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.330  -0.553  -0.735  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        3.983  -0.518  -1.989  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.324   0.715  -2.539  0.00  0.00    +0.135 A 
ATOM     25  O   LIG    1        4.942   0.545  -3.739  0.00  0.00    -0.463 OA
ATOM     26  C   LIG    1        4.999  -0.790  -3.972  0.00  0.00    +0.196 A 
ATOM     27  C   LIG    1        4.065   1.945  -1.939  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        3.416   1.907  -0.705  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.427  -1.487  -2.933  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        3.061   0.689  -0.127  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        2.436   0.710   1.061  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5