REMARK  Name = BDB014380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.115   1.543   1.327  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -2.921   1.386   0.596  0.00  0.00    +0.103 A 
ATOM      3  C   LIG    1       -2.660   2.272  -0.450  0.00  0.00    +0.071 A 
ATOM      4  N   LIG    1       -1.454   1.857  -0.952  0.00  0.00    -0.326 N 
ATOM      5  H   LIG    1       -0.973   2.243  -1.748  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.024   0.774  -0.229  0.00  0.00    +0.197 A 
ATOM      7  C   LIG    1       -3.522   3.308  -0.815  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -4.695   3.434  -0.070  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -5.554   4.414  -0.379  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -1.913   0.454   0.683  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1       -5.000   2.579   0.983  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.138   0.137  -0.534  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        0.402  -1.072   0.293  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        1.556  -1.913  -0.289  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1        2.761  -1.093  -0.515  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1        2.522   0.137  -1.284  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        1.360   0.960  -0.686  0.00  0.00    +0.127 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.868  -1.824  -0.946  0.00  0.00    +0.218 A 
ATOM     19  N   LIG    1        3.936  -3.139  -0.653  0.00  0.00    -0.220 NA
ATOM     20  C   LIG    1        5.035  -3.819  -1.047  0.00  0.00    +0.154 A 
ATOM     21  C   LIG    1        6.072  -3.240  -1.724  0.00  0.00    +0.160 A 
ATOM     22  F   LIG    1        7.150  -3.932  -2.106  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        5.932  -1.905  -1.987  0.00  0.00    +0.154 A 
ATOM     24  N   LIG    1        4.851  -1.185  -1.613  0.00  0.00    -0.220 NA
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  28
ATOM     25  N   LIG    1       -5.716   0.187   2.518  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -5.887  -0.530   3.212  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.324   0.210   1.711  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -4.427   0.647   2.456  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1       -3.606   0.336   3.306  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3