REMARK  Name = BDB028858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.898   3.245   0.557  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.588   1.913   0.359  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.765   1.273  -0.054  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.772  -0.123  -0.337  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.611  -0.790  -0.193  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.606  -0.035   0.246  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.797   2.167  -0.131  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.595   1.248   0.507  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.267   3.330   0.239  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.420   4.934   2.346  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.023   4.338   1.008  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.155   5.437  -0.050  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.825  -0.649   0.409  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.539   0.056   0.571  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.267  -1.810  -0.343  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.700  -2.240   0.013  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.768  -1.259  -0.499  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.173  -1.724  -0.077  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.286  -1.928   1.367  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.229  -2.249   1.590  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.319  -2.920   1.837  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -3.886  -2.495   1.517  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.693  -1.189  -1.923  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.313  -0.496  -2.212  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.936  -0.793  -0.741  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        2.761  -1.701  -1.163  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.165  -0.174  -1.207  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.167  -1.194  -1.626  0.00  0.00    +0.056 A 
ATOM     29  N   LIG    1        5.929  -1.909  -0.738  0.00  0.00    -0.270 N 
ATOM     30  C   LIG    1        5.910  -1.821   0.705  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.763  -2.783  -1.337  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1        6.528  -2.610  -2.638  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        5.543  -1.637  -2.878  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8