REMARK  Name = BDB029687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.266   0.023   0.407  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.184   0.785  -0.242  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.815   0.119   0.034  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.455   0.024   1.469  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.665  -0.059   2.316  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.914  -0.683   1.649  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        7.182   0.233  -1.024  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        6.292   1.159  -1.441  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        5.030   1.054  -0.951  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        4.570   0.082  -0.052  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        5.540  -0.850   0.340  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        6.852  -0.784  -0.140  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1       10.968   0.311  -1.047  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        9.596   0.088  -0.665  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        9.373   0.112   0.322  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        8.574   0.349  -1.569  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.780   0.668  -2.735  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.461  -1.100   1.722  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.809  -0.927   1.068  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -2.596   0.208   1.306  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.835   0.312   0.689  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.259  -0.722  -0.142  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -5.562  -0.616  -0.791  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -6.358   0.448  -0.580  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -5.878   1.577   0.286  0.00  0.00    +0.253 A 
ATOM     26  O   LIG    1       -6.541   2.595   0.454  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1       -3.533  -1.833  -0.390  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -4.652   1.430   0.884  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1       -4.346   2.197   1.466  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -2.328  -1.908   0.222  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -7.676   0.550  -1.267  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -8.476  -0.765  -1.513  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -9.757   0.050  -1.252  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -8.886   0.984  -0.389  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5