REMARK  Name = BDB001024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.177  -1.409   0.885  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.871  -0.477   0.098  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -2.131  -0.069   0.504  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.091   0.832  -0.108  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -4.182   0.900   0.667  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -4.065   0.044   1.898  0.00  0.00    +0.073 C 
ATOM      7  C   LIG    1       -5.313   1.722   0.251  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1       -5.220   2.409  -0.976  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -6.282   3.197  -1.433  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -7.440   3.309  -0.665  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.536   2.637   0.555  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.974   2.293  -1.797  0.00  0.00    +0.257 A 
ATOM     13  O   LIG    1       -3.849   2.877  -2.869  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -6.479   1.846   1.013  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1       -2.970   1.494  -1.286  0.00  0.00    -0.321 N 
ATOM     16  H   LIG    1       -2.135   1.408  -1.849  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -2.700  -0.558   1.690  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -2.029  -1.470   2.483  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -0.762  -1.898   2.069  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        1.957  -2.732   0.979  0.00  0.00    +0.231 C 
ATOM     21  N   LIG    1        1.093  -1.802   0.431  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        1.474  -1.337  -0.390  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.748  -3.442   1.958  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1        3.251  -2.877   0.162  0.00  0.00    +0.180 C 
BRANCH  24  29
ATOM     25  C   LIG    1        6.697   1.133  -1.167  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1        6.274  -0.246  -0.946  0.00  0.00    -0.303 NA
ATOM     27  C   LIG    1        5.405  -0.708  -2.045  0.00  0.00    +0.099 C 
ATOM     28  C   LIG    1        4.566  -1.935  -1.638  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1        3.580  -1.628  -0.574  0.00  0.00    -0.292 NA
ATOM     30  C   LIG    1        4.098  -0.573   0.334  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1        5.637  -0.429   0.372  0.00  0.00    +0.099 C 
ENDBRANCH  24  29
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 3