REMARK  Name = BDB062460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.354  -1.658   0.893  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.675  -0.576  -0.069  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.121  -0.614  -0.616  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -3.087  -0.478   0.488  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.686  -1.059   1.781  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -1.568  -2.115   1.604  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.385  -0.048   0.270  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.965   0.056  -1.000  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1       -6.228   0.480  -1.276  0.00  0.00    -0.219 NA
ATOM     10  C   LIG    1       -6.986   0.820  -0.220  0.00  0.00    +0.220 A 
ATOM     11  C   LIG    1       -6.529   0.781   1.083  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1       -5.224   0.343   1.320  0.00  0.00    +0.030 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -8.264   1.284  -0.412  0.00  0.00    -0.417 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -8.727   1.038  -1.724  0.00  0.00    +0.542 C 
ATOM     15  F   LIG    1       -9.890   1.734  -1.862  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -9.064  -0.272  -1.833  0.00  0.00    -0.166 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.704  -1.256   1.831  0.00  0.00    +0.121 C 
BRANCH  17  27
ATOM     18  C   LIG    1        6.367   0.688  -0.739  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        5.759   1.850  -0.010  0.00  0.00    +0.252 A 
ATOM     20  O   LIG    1        6.313   2.943   0.046  0.00  0.00    -0.268 OA
ATOM     21  N   LIG    1        4.548   1.641   0.599  0.00  0.00    -0.321 N 
ATOM     22  H   LIG    1        4.154   2.437   1.082  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        3.881   0.411   0.576  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        4.449  -0.674  -0.088  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1        3.876  -1.894  -0.158  0.00  0.00    -0.253 NA
ATOM     26  C   LIG    1        2.681  -2.029   0.464  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1        2.030  -1.006   1.157  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1        2.656   0.245   1.210  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        5.735  -0.499  -0.752  0.00  0.00    +0.038 A 
BRANCH  18  31
ATOM     30  C   LIG    1        7.575   1.655  -2.719  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        7.700   0.910  -1.398  0.00  0.00    +0.037 C 
ENDBRANCH  18  31
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 6