REMARK  Name = BDB049662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.387  -0.702  -1.199  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.638   0.565  -0.672  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.966   0.935  -0.667  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.511   0.564  -1.430  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.743   1.301  -0.273  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.531   2.036   0.011  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -4.821   2.432  -0.360  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -5.437   3.500   0.290  0.00  0.00    +0.128 A 
ATOM      9  F   LIG    1       -6.670   3.869  -0.082  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.800   4.182   1.314  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -3.528   3.777   1.688  0.00  0.00    +0.128 A 
ATOM     12  F   LIG    1       -2.904   4.417   2.686  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.890   2.712   1.052  0.00  0.00    +0.061 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.648   0.111  -1.047  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        1.731   0.686  -2.044  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.730  -0.353  -2.538  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.014  -1.146  -1.435  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.853  -1.360  -0.167  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.870  -0.263   0.145  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        3.692   1.101  -0.717  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.859   0.495   0.076  0.00  0.00    +0.015 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.140   0.929   1.060  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.980   1.519   0.274  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  C   LIG    1       -2.411  -1.759  -1.266  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.380  -2.692  -0.077  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.786  -2.248   1.191  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.751  -3.110   2.288  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.312  -4.422   2.132  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.906  -4.875   0.878  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.940  -4.016  -0.221  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7