REMARK  Name = BDB016440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.788  -1.062  -0.714  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.590  -0.742  -0.488  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.346  -1.408   0.488  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1       -2.643  -1.155   0.714  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -3.229  -0.192  -0.018  0.00  0.00    +0.161 A 
ATOM      6  N   LIG    1       -2.616   0.517  -0.972  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.722  -2.367   1.265  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.629  -2.663   1.109  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.312   0.234  -1.172  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1        1.378  -2.005   0.137  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.660   0.070   0.217  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.228   1.367   0.185  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -6.619   1.522   0.376  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -7.442   0.425   0.623  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.891  -0.847   0.682  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.520  -1.020   0.483  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -4.391   2.610  -0.037  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -5.050   3.750   0.342  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -3.233   2.636   0.680  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.061   2.820  -1.341  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   5  11
BRANCH   1  21
ATOM     21  N   LIG    1        1.520  -0.355  -1.683  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        0.965  -0.183  -2.517  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.894  -0.710  -2.038  0.00  0.00    +0.137 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.894   0.809   0.708  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        6.083  -0.405   0.032  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        5.108  -0.892  -0.842  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.919  -0.179  -1.058  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.745   1.048  -0.402  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        4.718   1.536   0.474  0.00  0.00    +0.013 A 
BRANCH  24  31
ATOM     30  F   LIG    1        7.893   2.083   0.979  0.00  0.00    -0.166 F 
ATOM     31  C   LIG    1        6.956   1.344   1.636  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        6.462   2.151   2.615  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.644   0.359   2.281  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6