REMARK  Name = BDB003878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.597   2.730   0.694  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.940   1.846   0.145  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.575   1.915   0.160  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.419   2.755   0.715  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.925   0.921   0.837  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.597   1.102   2.007  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.527  -0.324   0.033  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.179  -0.050  -0.672  0.00  0.00    +0.121 C 
ATOM      9  N   LIG    1        0.851  -0.664   0.172  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.265  -1.252   1.375  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.192  -1.487   0.985  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.595  -0.732  -0.997  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -4.021  -0.655  -0.459  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.609   0.738  -0.637  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.193  -0.342   0.074  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1        3.137  -0.612   1.092  0.00  0.00    +0.146 A 
ATOM     17  F   LIG    1        2.757  -1.189   2.243  0.00  0.00    -0.203 F 
ATOM     18  C   LIG    1        4.492  -0.296   0.975  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1        4.950   0.304  -0.195  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        4.062   0.581  -1.236  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        2.706   0.255  -1.094  0.00  0.00    +0.028 A 
BRANCH  19  22
ATOM     22  N   LIG    1        6.370   0.641  -0.335  0.00  0.00    +0.057 N 
ATOM     23  O   LIG    1        6.731   1.186  -1.388  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        7.125   0.362   0.607  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH   9  15
TORSDOF 2