REMARK  Name = BDB003881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.913   0.145  -0.622  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -0.198  -0.595  -0.005  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.494   0.082  -0.517  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.078   0.988   0.575  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.396   1.528   1.443  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.399   1.323   0.468  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.495   2.165   1.032  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.293   0.479   1.066  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.948   0.870   2.031  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.530  -0.881   0.450  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.282  -1.659   0.061  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.504  -0.953  -1.045  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.002   0.964  -1.680  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.420   1.347  -1.284  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        4.828  -0.113   1.034  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        4.464   0.981   0.258  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        3.174   1.078  -0.277  0.00  0.00    +0.146 A 
ATOM     18  F   LIG    1        2.903   2.185  -0.989  0.00  0.00    -0.203 F 
ATOM     19  C   LIG    1        2.196   0.081  -0.092  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        2.620  -1.049   0.628  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.912  -1.153   1.167  0.00  0.00    +0.025 A 
BRANCH  15  22
ATOM     22  N   LIG    1        6.147  -0.270   1.470  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1        6.248  -0.899   2.261  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        6.641   0.607   1.613  0.00  0.00    +0.142 HD
ENDBRANCH  15  22
ENDBRANCH   1  19
TORSDOF 2