REMARK  Name = BDB031099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.841  -0.953  -0.873  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.262  -0.895  -0.104  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.936  -2.044   0.132  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.543  -3.271  -0.384  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.584  -3.314  -1.194  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.282  -2.138  -1.447  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.099  -1.914   0.998  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        3.004  -0.862   0.997  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.945  -1.145   1.988  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.990  -0.201   2.192  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.054   0.906   1.429  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        4.072   1.176   0.379  0.00  0.00    +0.034 A 
ATOM     13  N   LIG    1        3.701  -2.292   2.583  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        3.079   0.283   0.195  0.00  0.00    +0.102 A 
ATOM     15  C   LIG    1        2.570  -2.769   1.980  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.230   2.429  -0.431  0.00  0.00    +0.373 C 
ATOM     17  F   LIG    1        4.197   3.530   0.367  0.00  0.00    -0.204 F 
ATOM     18  F   LIG    1        5.436   2.452  -1.060  0.00  0.00    -0.204 F 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -1.486   0.266  -1.075  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -0.943   0.935  -0.529  0.00  0.00    +0.148 HD
BRANCH  19  23
ATOM     21  C   LIG    1       -3.981   1.776  -2.493  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -3.496   1.669  -1.055  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -2.905   0.298  -0.711  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1       -3.154   0.182   0.809  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.029   1.304   1.207  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -3.441   2.039   1.603  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.620   1.802  -0.040  0.00  0.00    +0.086 C 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4