REMARK  Name = BDB048841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.442   1.420   0.045  0.00  0.00    -0.072 NA
ATOM      2  C   LIG    1       -1.080   0.186   0.171  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -1.899  -1.048   0.196  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.006  -2.112   0.021  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.460  -3.417  -0.053  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.830  -3.649   0.097  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.721  -2.583   0.304  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.318  -1.675  -0.145  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1        1.029  -2.253   0.285  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.258  -1.264   0.352  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.363  -0.313   0.165  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.442   0.426   0.469  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.856   0.048   0.275  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.614   1.118   0.755  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1        4.994   1.116   0.720  0.00  0.00    +0.145 A 
ATOM     16  C   LIG    1        5.646   0.018   0.170  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.899  -1.054  -0.346  0.00  0.00    +0.004 A 
ATOM     18  F   LIG    1        5.697   2.149   1.200  0.00  0.00    -0.204 F 
ATOM     19  N   LIG    1        2.788   2.126   1.238  0.00  0.00    -0.279 N 
ATOM     20  H   LIG    1        3.104   2.981   1.673  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.496  -1.040  -0.304  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        1.449   1.781   1.144  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        0.536   2.411   1.636  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  24
ATOM     24  O   LIG    1       -2.828   1.598   0.011  0.00  0.00    -0.317 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -4.617   3.053  -0.348  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1       -3.135   2.851  -0.463  0.00  0.00    +0.333 C 
ATOM     27  O   LIG    1       -2.375   3.686  -0.936  0.00  0.00    -0.249 OA
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 2