REMARK  Name = BDB027890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.229   1.033   0.210  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1       -0.024   1.705   0.941  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.616   0.569   0.356  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.776  -0.683   1.232  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.192  -0.849   2.302  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.692  -1.613   0.797  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.793  -2.428   1.388  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.720  -1.399  -0.084  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.646  -2.199  -0.180  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.704  -0.092  -0.838  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.289   0.431  -1.009  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -2.151   0.663   0.458  0.00  0.00    +0.144 A 
ATOM     13  C   LIG    1       -0.878   0.187   0.035  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.821  -1.043  -0.632  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -1.975  -1.803  -0.835  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -3.199  -1.327  -0.390  0.00  0.00    +0.127 A 
ATOM     17  F   LIG    1       -4.303  -2.059  -0.591  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -3.302  -0.101   0.252  0.00  0.00    +0.085 A 
BRANCH  12  20
ATOM     19  C   LIG    1       -3.378   2.428   1.501  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -2.129   1.889   1.088  0.00  0.00    -0.493 OA
ENDBRANCH  12  20
ENDBRANCH   1  13
TORSDOF 3