REMARK  Name = BDB060298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.443  -0.183   1.159  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        1.435   0.246  -0.164  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        0.378   0.705  -0.971  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.649   1.263  -2.036  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        2.700   0.172  -0.665  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1        3.390  -0.393   0.339  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        2.633  -0.627   1.466  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.057   0.573  -0.636  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -1.886   1.690  -0.763  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.251   1.589  -0.469  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.801   0.371  -0.063  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -2.966  -0.751   0.034  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.601  -0.656  -0.256  0.00  0.00    +0.015 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -5.161   0.184   0.250  0.00  0.00    -0.278 N 
ATOM     15  H   LIG    1       -5.443  -0.761   0.505  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -6.180   1.141   0.263  0.00  0.00    +0.321 C 
ATOM     17  O   LIG    1       -6.032   2.336   0.011  0.00  0.00    -0.266 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -7.549   0.538   0.641  0.00  0.00    +0.470 C 
ATOM     19  F   LIG    1       -8.074   1.091   1.767  0.00  0.00    -0.162 F 
ATOM     20  F   LIG    1       -8.477   0.678  -0.343  0.00  0.00    -0.162 F 
ATOM     21  F   LIG    1       -7.454  -0.804   0.887  0.00  0.00    -0.162 F 
ENDBRANCH  16  18
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   6  22
ATOM     22  C   LIG    1        4.822  -0.723   0.262  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1        5.384  -1.302   1.358  0.00  0.00    -0.252 NA
ATOM     24  C   LIG    1        6.698  -1.607   1.294  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        7.494  -1.367   0.187  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.910  -0.776  -0.926  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.556  -0.449  -0.892  0.00  0.00    +0.031 A 
ENDBRANCH   6  22
BRANCH   1  28
ATOM     28  N   LIG    1        0.405  -0.128   2.025  0.00  0.00    -0.327 N 
ATOM     29  H   LIG    1        0.684  -0.337   2.983  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -0.207   0.684   2.009  0.00  0.00    +0.145 HD
ENDBRANCH   1  28
TORSDOF 5