REMARK  Name = BDB061620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.127  -0.387  -0.623  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.109   0.733   3.044  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.844   0.029   1.744  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.825  -0.727   1.081  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.497  -1.466  -0.067  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -4.476  -2.380  -0.747  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -2.216  -1.327  -0.625  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.253  -0.509  -0.027  0.00  0.00    -0.045 A 
ATOM      9  C   LIG    1       -1.572   0.153   1.164  0.00  0.00    +0.010 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.086  -0.830   1.609  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.008   0.201   1.213  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.604   0.771   2.516  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -7.173  -0.487   0.475  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.510   1.401   0.361  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.210   2.513   0.771  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.399   1.131  -0.958  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.993   1.943  -1.328  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        1.082  -1.441  -0.064  0.00  0.00    +0.153 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.408  -1.306  -0.623  0.00  0.00    -0.213 N 
ATOM     20  C   LIG    1        3.406  -0.430  -0.172  0.00  0.00    +0.351 A 
ATOM     21  O   LIG    1        3.314   0.286   0.814  0.00  0.00    -0.244 OA
ATOM     22  N   LIG    1        4.439  -0.556  -1.088  0.00  0.00    -0.250 N 
ATOM     23  C   LIG    1        3.970  -1.431  -2.007  0.00  0.00    +0.230 A 
ATOM     24  N   LIG    1        2.778  -1.897  -1.800  0.00  0.00    -0.157 NA
BRANCH  22  25
ATOM     25  C   LIG    1        5.692   0.104  -1.085  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        6.631  -0.111  -2.107  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        7.873   0.540  -2.108  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        8.214   1.433  -1.087  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        7.292   1.645  -0.058  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        6.051   0.993  -0.061  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.559   2.118  -1.071  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       10.093   2.273  -2.314  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       10.483   1.426  -0.350  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.515   3.366  -0.527  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9