REMARK  Name = BDB040637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.664  -0.676   0.262  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.756   0.195  -0.277  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.950   1.203  -0.927  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.431  -0.298   0.097  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.609  -1.414   0.883  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -0.457  -2.101   1.407  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -1.735  -1.617   1.102  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1       -1.971  -0.465   0.283  0.00  0.00    +0.066 A 
ATOM      9  F   LIG    1       -2.761  -2.304   1.630  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -0.826   0.197  -0.210  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.046  -1.642   1.010  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1        2.543  -2.538   1.663  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1        7.626   1.654  -0.051  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        6.579   1.017   0.022  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        5.711   1.199   1.070  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.960   1.925   1.728  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.471   0.626   1.249  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        3.755   0.970   2.187  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        4.106  -0.486   0.260  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1        4.697  -0.182  -1.114  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        6.207  -0.043  -0.989  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
BRANCH   8  22
ATOM     22  N   LIG    1       -3.250   0.020  -0.003  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1       -3.455   1.063  -1.033  0.00  0.00    +0.124 C 
ATOM     24  C   LIG    1       -4.951   1.395  -1.248  0.00  0.00    +0.073 C 
ATOM     25  N   LIG    1       -5.753   0.165  -1.610  0.00  0.00    -0.307 NA
ATOM     26  H   LIG    1       -6.678   0.387  -1.978  0.00  0.00    +0.123 HD
ATOM     27  C   LIG    1       -5.762  -0.099  -0.119  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -5.775   1.439   0.062  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -4.451  -0.770   0.357  0.00  0.00    +0.124 C 
ENDBRANCH   8  22
TORSDOF 2