REMARK  Name = BDB061180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.383   0.493   0.441  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -1.913  -0.782  -0.001  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -0.559  -1.014   0.079  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.375  -2.301  -0.332  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.526  -2.821  -0.691  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.356  -0.067   0.541  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.069   1.089   0.968  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -2.496  -1.868  -0.477  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1       -1.430   1.336   0.904  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -7.269  -0.017  -0.341  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.974   0.775  -0.361  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -4.737  -0.093  -0.183  0.00  0.00    +0.117 C 
ATOM     13  N   LIG    1       -3.742   0.797   0.387  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1       -4.368   1.914   0.964  0.00  0.00    +0.220 C 
ATOM     15  O   LIG    1       -3.861   2.846   1.569  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.860   1.771   0.780  0.00  0.00    +0.101 C 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        1.702  -0.349   0.577  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.141   0.342   1.186  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.449  -0.378  -0.678  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.856  -0.818  -0.409  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.861   0.065  -0.027  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.839   1.540   0.122  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        6.176   1.739   0.836  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        7.032   0.608   0.556  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        6.154  -0.387   0.213  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.506  -1.716   0.092  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.510  -2.622  -0.270  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.206  -2.172  -0.511  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.273  -3.070  -0.862  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4