REMARK  Name = BDB058015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.663   0.719   0.389  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -2.858  -0.220  -0.231  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.481  -0.255  -0.238  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.121  -1.369  -0.985  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -2.326  -2.084  -1.475  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -2.399  -3.090  -2.146  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        0.130  -1.778  -1.229  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.420  -1.277  -0.949  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.783  -1.453  -1.089  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.609  -0.513  -0.474  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.056   0.560   0.255  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.333  -1.094  -0.745  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.522   0.282  -0.917  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.690   0.902  -0.459  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.696   0.156   0.171  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.511  -1.225   0.325  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.343  -1.844  -0.134  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.913   0.797   0.651  0.00  0.00    +0.204 A 
ATOM     19  N   LIG    1        5.177   2.114   0.557  0.00  0.00    -0.133 NA
ATOM     20  N   LIG    1        6.386   2.155   1.135  0.00  0.00    -0.176 N 
ATOM     21  H   LIG    1        6.908   3.021   1.238  0.00  0.00    +0.214 HD
ATOM     22  N   LIG    1        6.872   0.989   1.570  0.00  0.00    -0.049 NA
ATOM     23  N   LIG    1        5.933   0.104   1.266  0.00  0.00    -0.108 NA
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  27
ATOM     24  N   LIG    1       -1.804   1.977   1.369  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -1.134   1.289   1.051  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -1.471   2.746   1.935  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -3.151   1.872   1.174  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -3.913   2.708   1.643  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3