REMARK  Name = BDB048468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099   0.097   0.320  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.192  -0.447   0.266  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        2.230   0.206  -0.420  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.955   1.410  -1.075  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.674   1.960  -1.024  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.346   1.309  -0.326  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.567  -0.389  -0.456  0.00  0.00    +0.100 A 
ATOM      8  C   LIG    1        4.840   0.264  -0.370  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        5.778  -0.756  -0.479  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        7.160  -0.538  -0.451  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        7.593   0.782  -0.295  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.682   1.829  -0.169  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        5.046  -1.903  -0.602  0.00  0.00    -0.276 N 
ATOM     14  H   LIG    1        5.397  -2.848  -0.705  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1        5.303   1.586  -0.202  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.718  -1.721  -0.565  0.00  0.00    -0.173 NA
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1       -2.400  -0.308   1.206  0.00  0.00    +0.241 C 
ATOM     18  N   LIG    1       -1.073  -0.631   1.036  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -0.752  -1.505   1.433  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -2.998   0.669   0.775  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -4.337  -1.802   1.846  0.00  0.00    +0.072 C 
ATOM     22  C   LIG    1       -3.103  -1.313   2.040  0.00  0.00    +0.072 C 
BRANCH  21  25
ATOM     23  N   LIG    1       -5.236  -0.467   0.012  0.00  0.00    -0.312 N 
ATOM     24  H   LIG    1       -4.519   0.224   0.234  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -5.345  -1.588   0.774  0.00  0.00    +0.237 C 
ATOM     26  O   LIG    1       -6.246  -2.414   0.651  0.00  0.00    -0.271 OA
BRANCH  23  28
ATOM     27  C   LIG    1       -7.390   0.622  -0.420  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -6.203  -0.121  -1.005  0.00  0.00    +0.101 C 
ENDBRANCH  23  28
ENDBRANCH  21  25
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 5