REMARK  Name = BDB052748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.390   0.505   0.123  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.059   0.132  -0.013  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -0.739  -1.064  -0.447  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.819  -1.977  -0.799  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1       -3.121  -1.574  -0.684  0.00  0.00    -0.294 N 
ATOM      6  C   LIG    1       -3.908  -2.633  -1.098  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -2.994  -3.629  -1.412  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1       -1.697  -3.213  -1.234  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.413  -0.310  -0.207  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.907   3.487   1.929  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.720   2.178   1.485  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.657   1.871   0.626  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -1.814   2.927   0.280  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -1.972   4.212   0.692  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -3.017   4.459   1.506  0.00  0.00    +0.111 A 
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  C   LIG    1       -5.363  -2.647  -1.143  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -6.088  -1.706  -1.870  0.00  0.00    +0.120 A 
ATOM     18  N   LIG    1       -7.440  -1.668  -1.936  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -8.106  -2.628  -1.259  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -7.482  -3.619  -0.520  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -6.090  -3.627  -0.464  0.00  0.00    +0.013 A 
ENDBRANCH   6  16
BRANCH   3  22
ATOM     22  N   LIG    1        0.558  -1.512  -0.604  0.00  0.00    -0.296 N 
ATOM     23  H   LIG    1        0.619  -2.460  -0.963  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        1.785  -0.917  -0.280  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        1.924   0.305   0.376  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        3.190   0.854   0.646  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        4.370   0.212   0.257  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.225  -1.020  -0.395  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        2.963  -1.569  -0.663  0.00  0.00    +0.025 A 
BRANCH  27  30
ATOM     30  N   LIG    1        5.654   0.716   0.513  0.00  0.00    -0.326 N 
ATOM     31  C   LIG    1        6.458   0.955  -0.712  0.00  0.00    +0.133 C 
ATOM     32  C   LIG    1        7.915   1.269  -0.330  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1        8.003   2.381   0.575  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        7.267   2.093   1.776  0.00  0.00    +0.178 C 
ATOM     35  C   LIG    1        5.783   1.833   1.474  0.00  0.00    +0.133 C 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 5