REMARK  Name = BDB005981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.091   1.416   0.022  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.177   1.465  -1.204  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1        1.205   0.931  -0.829  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        1.192  -0.495  -0.470  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1       -0.106  -0.934   0.078  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.863   0.146   0.855  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.757   1.014  -1.925  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.582   1.435  -1.313  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -3.313   0.745  -1.003  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1       -2.494   1.641  -0.335  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -3.078   2.962  -0.258  0.00  0.00    +0.144 C 
ATOM     12  O   LIG    1       -3.046  -0.405  -1.296  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -4.425   2.759  -0.864  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -5.429   3.703  -1.011  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -6.613   3.306  -1.623  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.772   1.984  -2.072  0.00  0.00    +0.014 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -5.234  -1.386  -2.218  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -5.447  -2.268  -2.662  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -4.291  -1.275  -1.846  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.079  -0.346  -2.446  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1       -7.115  -0.545  -3.075  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        2.362  -0.933   0.330  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        3.695  -0.287  -0.142  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        4.959  -1.038   0.292  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        4.737  -1.922   1.513  0.00  0.00    +0.170 C 
ATOM     26  O   LIG    1        5.954  -2.614   1.838  0.00  0.00    -0.346 OA
ATOM     27  C   LIG    1        6.443  -1.970   3.013  0.00  0.00    +0.191 C 
ATOM     28  C   LIG    1        5.188  -1.515   3.703  0.00  0.00    +0.191 C 
ATOM     29  O   LIG    1        4.359  -1.086   2.623  0.00  0.00    -0.346 OA
ATOM     30  C   LIG    1        3.640  -2.958   1.244  0.00  0.00    +0.066 C 
ATOM     31  C   LIG    1        2.542  -2.465   0.289  0.00  0.00    +0.024 C 
ENDBRANCH   4  22
TORSDOF 3