REMARK  Name = BDB027942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.134  -0.475  -0.885  0.00  0.00    -0.328 N 
ATOM      2  H   LIG    1        0.056  -0.404  -1.908  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -4.932   0.813   0.723  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.742   0.656   0.465  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -3.234   0.999  -0.762  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.912   1.303  -1.448  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.972   0.738  -1.240  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1       -1.707   0.893  -2.432  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -0.930   0.275  -0.204  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1       -1.629  -0.632   0.806  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -2.757   0.131   1.481  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1        1.477  -0.330  -0.491  0.00  0.00    +0.099 A 
ATOM     13  C   LIG    1        1.910   0.036   0.792  0.00  0.00    +0.147 A 
ATOM     14  F   LIG    1        1.027   0.370   1.747  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1        3.265   0.078   1.135  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        4.236  -0.272   0.199  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        3.842  -0.669  -1.074  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        2.485  -0.705  -1.398  0.00  0.00    +0.147 A 
ATOM     19  F   LIG    1        2.139  -1.099  -2.635  0.00  0.00    -0.203 F 
ENDBRANCH   1  12
TORSDOF 2