REMARK  Name = BDB052264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.645   0.019  -0.632  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1        1.530  -0.040  -1.382  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1        5.175  -1.265   1.128  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        5.736   0.053   0.656  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        5.006   0.935  -0.198  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        5.615   2.115  -0.624  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1        4.708   2.724  -1.447  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        4.817   3.601  -1.942  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1        3.558   2.062  -1.584  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1        6.893   2.520  -0.240  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        7.585   1.682   0.631  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        3.701   0.977  -0.810  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        7.028   0.476   1.078  0.00  0.00    +0.055 A 
BRANCH  13  14
ATOM     14  C   LIG    1        7.820  -0.315   1.982  0.00  0.00    +0.099 C 
ATOM     15  N   LIG    1        8.466  -0.946   2.712  0.00  0.00    -0.191 NA
ENDBRANCH  13  14
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1        0.450  -1.012  -1.171  0.00  0.00    -0.025 A 
ATOM     17  C   LIG    1       -0.879  -0.587  -1.298  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -1.949  -1.481  -1.125  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1       -1.668  -2.825  -0.847  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -0.348  -3.263  -0.735  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.705  -2.362  -0.901  0.00  0.00    +0.008 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.381  -1.011  -1.280  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.696   0.183  -0.484  0.00  0.00    -0.296 NA
ATOM     24  C   LIG    1       -4.964   0.788  -0.942  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -5.625   1.690   0.123  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1       -5.971   0.986   1.374  0.00  0.00    -0.303 NA
ATOM     27  C   LIG    1       -7.391   0.654   1.443  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -5.141  -0.221   1.564  0.00  0.00    +0.099 C 
ATOM     29  C   LIG    1       -3.721  -0.079   0.972  0.00  0.00    +0.100 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 5