REMARK  Name = BDB021938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.224  -1.435   0.284  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -1.171  -1.441   0.115  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.744  -0.187   0.144  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.244   0.489   0.700  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.812  -2.481  -0.008  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        5.537   2.079  -1.288  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        4.618   2.166  -0.096  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1        3.477   1.362  -0.107  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1        2.938   0.779  -1.337  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        2.139  -0.492  -1.068  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1        1.071  -0.246   0.007  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1        1.718   0.297   1.285  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        2.529   1.553   0.989  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1        4.895   2.914   0.842  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1       -3.075   0.148  -0.183  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.532   1.417   0.195  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.838   1.840  -0.115  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -5.688   0.966  -0.805  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -5.234  -0.293  -1.194  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.932  -0.697  -0.889  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.322   3.198   0.325  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -6.298   3.708  -0.476  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -4.331   4.133   0.342  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -5.839   3.181   1.584  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.900  -2.714   0.613  0.00  0.00    +0.072 C 
ATOM     26  C   LIG    1        0.381  -3.327   1.917  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1        0.865  -3.727  -0.534  0.00  0.00    +0.028 C 
ENDBRANCH   1  25
TORSDOF 4