REMARK  Name = BDB016941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.984  -3.282  -0.919  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.701  -2.626  -0.982  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.393  -1.372  -0.495  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.961  -1.222  -0.780  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.450  -2.350  -1.418  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.429  -3.166  -1.523  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.356  -0.508   0.177  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.274   0.240  -0.567  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.201   1.062   0.079  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.228   1.144   1.480  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.297   0.399   2.219  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.370  -0.423   1.572  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.207   2.056   2.176  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -5.375   2.208   1.490  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.713   3.312   2.354  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.562   1.614   3.415  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  17
ATOM     17  C   LIG    1        1.812  -0.072  -0.480  0.00  0.00    +0.092 A 
ATOM     18  N   LIG    1        1.212   1.083  -0.092  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        1.993   2.146   0.188  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        3.368   2.134   0.075  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.963   0.948  -0.348  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        3.189  -0.178  -0.616  0.00  0.00    +0.045 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.428   0.849  -0.485  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        6.081  -0.073  -0.032  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.952   1.876  -1.185  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.295   2.440  -1.634  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 5