REMARK  Name = BDB061690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.161   0.596  -0.533  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.139   0.295  -0.675  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.059   1.274  -0.584  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -1.688   2.579  -0.336  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.338   2.800  -0.195  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        0.594   1.837  -0.295  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.661   3.688  -0.183  0.00  0.00    +0.422 C 
ATOM      8  F   LIG    1       -3.303   3.683   1.017  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.082   4.921  -0.280  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.638   3.681  -1.137  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.030  -0.485  -0.646  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.488  -1.321  -0.806  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        5.207  -1.063  -0.464  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.693   0.231  -0.372  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.309   0.439  -0.426  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        2.420  -0.629  -0.592  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.963  -1.921  -0.709  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.343  -2.141  -0.654  0.00  0.00    +0.015 A 
BRANCH  13  21
ATOM     19  C   LIG    1        6.886  -0.344   1.887  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1        7.426  -0.769   0.603  0.00  0.00    -0.304 N 
ATOM     21  C   LIG    1        6.667  -1.308  -0.435  0.00  0.00    +0.246 C 
ATOM     22  O   LIG    1        7.148  -1.974  -1.351  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        8.872  -0.884   0.525  0.00  0.00    +0.132 C 
ENDBRANCH  13  21
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  24
ATOM     24  N   LIG    1       -3.420   0.949  -0.703  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -3.848   1.542  -1.415  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.771  -0.468  -0.891  0.00  0.00    +0.072 C 
ATOM     27  C   LIG    1       -5.195  -0.556  -1.470  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -6.270  -0.111  -0.476  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -6.170  -0.892   0.838  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -4.766  -0.790   1.440  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -3.696  -1.234   0.440  0.00  0.00    +0.024 C 
BRANCH  29  32
ATOM     32  N   LIG    1       -7.159  -0.409   1.800  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1       -6.964   0.564   2.035  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -8.086  -0.416   1.377  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 7