REMARK  Name = BDB051301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.908   0.267   0.376  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.759   0.102   0.767  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.573   0.508  -0.047  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -4.805   0.946  -1.351  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.751   1.356  -2.161  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.464   1.327  -1.616  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.179   0.898  -0.314  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.752   1.049  -0.139  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -0.249   1.552  -1.324  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -1.279   1.703  -2.203  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -1.196   2.059  -3.145  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.262   0.455   0.502  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.114  -0.003   1.936  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -4.208  -0.993   2.315  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -5.511  -0.475   1.989  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -6.336  -0.855   2.438  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1        0.086   0.760   1.073  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.584  -0.696   1.155  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.445  -1.158   0.058  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        0.938  -1.013  -0.817  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.756  -0.502  -0.031  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        3.414  -0.936  -1.354  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        4.810  -0.340  -1.516  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.707  -0.684  -0.332  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.069  -0.267   0.988  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.669  -0.856   1.155  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 4