REMARK  Name = BDB060020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218   0.664   0.279  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -0.562   1.902  -0.587  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1       -0.555   1.984  -1.808  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.901   2.901   0.278  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.251   4.238  -0.141  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -0.887   2.412   1.529  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -0.550   1.171   1.665  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.175  -0.561  -0.024  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -2.680  -0.141   0.037  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -3.616  -1.329  -0.217  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -2.806  -2.600  -0.483  0.00  0.00    -0.011 C 
ATOM     12  C   LIG    1       -1.903  -2.357  -1.696  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -1.929  -2.888   0.739  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.938  -1.193  -1.427  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -0.986  -1.708   1.018  0.00  0.00    +0.010 C 
ENDBRANCH   1   8
BRANCH   1  19
ATOM     16  C   LIG    1        4.049  -0.307   0.076  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        3.365  -0.341   1.290  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.003  -0.029   1.351  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        1.285   0.329   0.197  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1        1.990   0.354  -1.018  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        3.355   0.041  -1.079  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.112  -0.612  -1.061  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.375  -0.634   0.154  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH   1  19
BRANCH   6  24
ATOM     24  N   LIG    1       -1.233   3.167   2.598  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1       -1.952   3.861   2.451  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -1.387   2.605   3.429  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
TORSDOF 4