REMARK  Name = BDB026641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.646  -0.880  -1.011  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        1.141  -0.890  -0.125  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.194  -1.611  -2.053  0.00  0.00    +0.237 C 
ATOM      4  O   LIG    1        0.732  -1.697  -3.190  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.788   1.629  -0.919  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.967   1.430   0.202  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.840   0.601   0.143  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -0.502  -0.061  -1.040  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.309   0.121  -2.161  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.438   0.952  -2.099  0.00  0.00    +0.012 A 
BRANCH   5  14
ATOM     11  C   LIG    1       -6.567   3.122   1.677  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1       -5.757   3.230   0.424  0.00  0.00    +0.127 A 
ATOM     13  N   LIG    1       -4.665   2.452   0.319  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -3.971   2.506  -0.842  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1       -4.354   3.337  -1.879  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1       -5.481   4.096  -1.669  0.00  0.00    +0.115 A 
ATOM     17  N   LIG    1       -6.204   4.058  -0.538  0.00  0.00    -0.241 NA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        2.425  -2.426  -1.688  0.00  0.00    +0.219 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.324  -1.750  -0.775  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        3.562  -2.040   0.539  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        2.996  -3.128   1.377  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        3.812  -3.251   2.681  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.163  -1.879   3.297  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        4.993  -0.998   2.342  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        4.442  -1.071   0.965  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1        4.760  -0.215  -0.049  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        4.086  -0.654  -1.090  0.00  0.00    +0.200 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4