REMARK  Name = BDB029680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.764  -0.070  -0.324  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        1.743   0.915   0.088  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.334   0.285   0.005  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.060  -0.136  -1.363  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.130  -0.440  -2.189  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.359  -0.981  -1.420  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.833   0.607   0.472  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        6.429  -0.659   0.241  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        5.102  -0.865  -0.006  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        4.115   0.144  -0.060  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        4.598   1.436   0.205  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        5.950   1.675   0.466  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.025  -1.561   0.720  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        9.218  -0.134   0.829  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       10.154   0.204   1.013  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        8.286   0.875   0.742  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.671   2.036   0.894  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
BRANCH   9  18
ATOM     18  C   LIG    1        4.785  -2.261  -0.151  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        4.527  -3.388  -0.289  0.00  0.00    -0.189 NA
ENDBRANCH   9  18
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -0.993  -1.274  -1.325  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.325  -0.926  -0.706  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -3.107   0.126  -1.201  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.328   0.399  -0.600  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.740  -0.386   0.471  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.021  -0.099   1.102  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -6.833   0.891   0.676  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -6.350   1.748  -0.479  0.00  0.00    +0.253 A 
ATOM     28  O   LIG    1       -7.014   2.693  -0.897  0.00  0.00    -0.268 OA
ATOM     29  N   LIG    1       -4.017  -1.411   0.971  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -5.141   1.442  -1.047  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -4.851   2.030  -1.816  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -2.830  -1.657   0.369  0.00  0.00    +0.116 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.131   1.200   1.315  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -9.399   1.001   0.522  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -9.095   0.097   1.678  0.00  0.00    +0.009 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6