REMARK  Name = BDB021749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.338   0.541  -0.688  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.514  -0.207  -0.852  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.961  -0.827   0.296  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.757  -0.327   1.147  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.103  -0.273  -1.928  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.969  -1.809   0.385  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.500  -2.076   1.656  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.499  -3.050   1.839  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -5.945  -3.775   0.728  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.406  -3.516  -0.527  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.835  -4.224  -1.580  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.425  -2.546  -0.707  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.049  -3.337   3.212  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -5.327  -4.287   3.866  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -7.334  -3.785   3.193  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.047  -2.242   4.022  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.344  -0.051   1.564  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        1.492   1.101   1.900  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.514   1.485   0.788  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.353   0.281   0.395  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.531  -0.928   0.054  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.525  -1.209   1.183  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.381   0.305   0.580  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.496  -0.746   0.483  0.00  0.00    +0.015 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.625  -0.267  -0.435  0.00  0.00    +0.001 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.859  -0.838  -1.451  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.737  -1.310  -0.541  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -0.895   1.309  -1.863  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.175   2.791  -1.734  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.472   3.257  -1.472  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.730   4.625  -1.370  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.698   5.545  -1.539  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.408   5.098  -1.818  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.149   3.729  -1.921  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9