REMARK  Name = BDB014967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.438   0.998  -0.434  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.417   1.999  -0.610  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.633   4.286  -0.569  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.155   3.992  -0.590  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.768   2.659  -0.652  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.316   2.419  -0.765  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.989   1.001  -0.458  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.741   0.344  -0.308  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.926  -0.955  -0.047  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.259  -1.128   0.000  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -2.938   0.019  -0.272  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.402   0.239  -0.334  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.673   1.567  -1.073  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -3.341   4.915  -0.544  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.803  -2.427   0.309  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -2.487  -3.494  -0.723  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -2.654  -4.759  -0.057  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.647  -4.524   1.360  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.280  -3.071   1.578  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.777   0.556  -0.327  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.808   1.493  -0.517  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.483   2.768  -0.792  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.157   1.151  -0.438  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.516  -0.167  -0.162  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.508  -1.120   0.026  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.155  -0.760  -0.056  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.911  -0.549  -0.076  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        6.993  -0.015   0.689  0.00  0.00    +0.173 A 
ATOM     29  N   LIG    1        8.136  -0.688   0.430  0.00  0.00    -0.169 NA
ATOM     30  N   LIG    1        7.781  -1.624  -0.462  0.00  0.00    -0.284 N 
ATOM     31  H   LIG    1        8.497  -2.258  -0.804  0.00  0.00    +0.188 HD
ATOM     32  C   LIG    1        6.462  -1.587  -0.795  0.00  0.00    +0.114 A 
BRANCH  28  33
ATOM     33  C   LIG    1        6.927   1.128   1.667  0.00  0.00    +0.437 C 
ATOM     34  F   LIG    1        5.867   1.015   2.514  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        6.785   2.325   1.032  0.00  0.00    -0.164 F 
ATOM     36  F   LIG    1        8.033   1.237   2.452  0.00  0.00    -0.164 F 
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH   1  20
TORSDOF 5