REMARK  Name = BDB064500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.242  -0.201  -0.535  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -2.134  -0.897   0.290  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.201  -0.243   0.926  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -4.094  -1.047   1.826  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -3.409   1.123   0.675  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.484   1.855  -0.089  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -2.596   3.339  -0.286  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.426   1.175  -0.714  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -0.102  -0.923  -1.225  0.00  0.00    +0.119 C 
BRANCH   9  13
ATOM     10  N   LIG    1        3.701  -1.296  -0.543  0.00  0.00    -0.313 N 
ATOM     11  C   LIG    1        3.121  -2.648  -0.562  0.00  0.00    +0.122 C 
ATOM     12  C   LIG    1        1.666  -2.571  -1.079  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        0.759  -1.685  -0.306  0.00  0.00    -0.295 NA
ATOM     14  C   LIG    1        1.527  -0.816   0.611  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1        2.854  -0.248   0.054  0.00  0.00    +0.122 C 
BRANCH  10  20
ATOM     16  C   LIG    1        9.296  -1.129   0.383  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1        7.818  -1.127   0.164  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        7.082  -2.301   0.186  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        5.748  -2.372  -0.037  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1        5.072  -1.232  -0.298  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        5.752  -0.014  -0.369  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        7.128   0.040  -0.138  0.00  0.00    +0.008 A 
ENDBRANCH  10  20
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   5  23
ATOM     23  O   LIG    1       -4.471   1.762   1.262  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -5.656   1.861   0.452  0.00  0.00    +0.200 C 
ATOM     25  C   LIG    1       -6.785   1.133   1.207  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1       -6.048   3.352   0.437  0.00  0.00    +0.067 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -5.627   1.371  -1.022  0.00  0.00    +0.348 C 
ATOM     28  O   LIG    1       -5.432   2.058  -2.015  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -5.822   0.042  -1.165  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1       -5.688  -0.112  -2.124  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 7