REMARK  Name = BDB028342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.905  -3.892  -2.067  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.861  -3.567  -1.121  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.541  -2.322  -0.619  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.495  -2.553   0.277  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.712  -3.946   0.231  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.092  -4.559  -0.637  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.152  -1.544   1.086  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.711  -0.402   0.489  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.325   0.580   1.278  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.411   0.397   2.656  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.103   1.406   3.473  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        3.640   2.470   2.791  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.123   3.176   3.339  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.547   2.695   1.453  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.199   1.287   4.689  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.864  -0.742   3.258  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        2.913   1.825   0.722  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.233  -1.708   2.473  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.803   2.121  -0.773  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.976   1.586  -1.466  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        4.803   2.068  -1.103  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.111   0.603  -1.236  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.234  -1.084  -0.991  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -2.115  -0.415  -0.116  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -2.740   0.810  -0.497  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.468   1.357  -1.781  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.093   2.578  -2.151  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -3.962   3.245  -1.286  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.229   2.715  -0.034  0.00  0.00    +0.002 A 
ATOM     30 CL   LIG    1       -2.821   3.321  -3.695  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -1.583   0.659  -2.633  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -3.628   1.517   0.353  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -0.977  -0.536  -2.247  0.00  0.00    +0.012 A 
BRANCH  24  34
ATOM     34  C   LIG    1       -2.389  -0.988   1.177  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1       -2.627  -1.432   2.223  0.00  0.00    -0.191 NA
ENDBRANCH  24  34
ENDBRANCH   3  23
TORSDOF 5