REMARK  Name = BDB060678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.822  -2.043   0.493  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.172  -1.597   0.392  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.967  -2.665   0.783  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.351  -2.598   0.807  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.888  -1.373   0.406  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.044  -0.325   0.020  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1        2.199  -3.732   1.123  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        2.690  -0.404   0.001  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        0.905  -3.347   0.950  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.864   0.027  -0.292  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -1.718   0.715   0.131  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.519   0.038   0.386  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.430  -1.349   0.226  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -1.571  -2.043  -0.201  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.769  -1.363  -0.454  0.00  0.00    +0.009 A 
BRANCH  10  19
ATOM     16  C   LIG    1       -6.536   2.106  -1.079  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.356   2.513  -1.697  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.161   1.836  -1.440  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.124   0.740  -0.561  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -5.325   0.346   0.051  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -6.521   1.023  -0.204  0.00  0.00    +0.001 A 
ENDBRANCH  10  19
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1        4.568   0.965  -0.404  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        5.888   1.370  -0.412  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1        5.895   2.653  -0.884  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        6.691   3.267  -1.024  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1        4.675   3.120  -1.185  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        3.869   2.095  -0.893  0.00  0.00    +0.144 A 
ENDBRANCH   6  22
TORSDOF 3