REMARK  Name = BDB018960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.564  -2.494  -0.429  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.440  -1.484  -0.315  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.682  -1.732   0.301  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.634  -0.704   0.429  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.401   0.577  -0.087  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.206   0.827  -0.775  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.019  -3.084   0.872  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.150  -4.156   0.244  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.252  -0.207  -0.879  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.301  -3.723   0.343  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.529   0.126   0.124  0.00  0.00    +0.147 A 
ATOM     12  N   LIG    1        3.773  -0.925  -0.337  0.00  0.00    -0.206 N 
ATOM     13  C   LIG    1        4.603  -1.730  -1.095  0.00  0.00    +0.155 A 
ATOM     14  C   LIG    1        4.020  -2.854  -1.710  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        2.719  -3.100  -1.521  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        1.913  -2.179  -0.643  0.00  0.00    +0.147 A 
ATOM     17  N   LIG    1        5.837  -1.279  -1.112  0.00  0.00    -0.234 NA
ATOM     18  N   LIG    1        2.446  -1.123  -0.077  0.00  0.00    -0.149 NA
ATOM     19  C   LIG    1        5.799  -0.133  -0.359  0.00  0.00    +0.146 A 
BRANCH  11  23
ATOM     20  C   LIG    1        2.180   2.343   2.006  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        2.756   1.306   1.194  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.176   0.521   0.906  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        4.104   1.246   0.922  0.00  0.00    +0.264 C 
ATOM     24  O   LIG    1        4.887   2.099   1.333  0.00  0.00    -0.268 OA
ENDBRANCH  11  23
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  C   LIG    1       -3.425   1.585   0.094  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.244   2.780   0.756  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -4.452   3.416   0.726  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -4.769   4.707   1.285  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -5.412   2.710   0.099  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -4.788   1.589  -0.272  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1       -0.896   2.168  -1.392  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        0.080   2.104  -2.346  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -0.444   3.070  -0.474  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 4