* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    224     416
    1     0 S   NP   _N1_     1    28.27875    97.25863   -20.94630
    2     1 S   H    _HN1     2     1.02783    90.68658   -91.39571
    3     1 S   H    _H1_     3     1.02951    72.66810    17.64737
    4     1 S   H    _H2_     4     1.02829    46.20707   154.14202
    5     1 S   CT   _CA1     5     1.50105   153.30924   118.73933
    6     5 S   HC   _HA1     6     1.09572   105.21409    85.79522
    7     5 S   CO3  _C1_     7     1.53802   112.45631   -34.46784
    8     7 S   O2Z  _O11     8     1.26371   115.01170   -42.72134
    9     7 S   O2Z  _O12     9     1.26241   114.95011   136.47716
   10     5 S   CT   _CB1    10     1.53089   107.42954  -156.20482
   11    10 S   HC   HB11    11     1.09830   109.41446   -49.76898
   12    10 S   HC   HB12    12     1.09815   110.42784    66.85244
   13    10 S   CT   _CG1    13     1.52977   112.57881  -170.75792
   14    13 S   HC   HG11    14     1.09588   110.58825   -64.61829
   15    13 S   HC   HG12    15     1.09668   109.82949    54.60121
   16    13 S   C    _CD1    16     1.51793   112.30614   175.07403
   17    16 S   O    _OE1    17     1.22716   123.32764     4.66934
   18    16 S   N    _N2_    18     1.38640   111.60061  -175.49924
   19    18 S   H    _HN2    19     1.01587   118.90475     1.96384
   20    18 S   CT1  _CA2    20     1.46182   123.41275   178.12529
   21    20 S   HC   _HA2    21     1.09726   109.48131    -0.37794
   22    20 S   C    _C2_    22     1.53519   108.49843  -116.03406
   23    22 S   O    _O2_    23     1.23054   122.23744  -147.75389
   24    20 S   CT   _CB2    32     1.53425   111.48733   121.81367
   25    24 S   HC   HB21    33     1.09397   109.50876    56.62692
   26    24 S   HC   HB22    34     1.09427   109.63494   175.40125
   27    22 S   N    _N3_    24     1.38316   113.64745    39.42035
   28    27 S   H    _HN3    25     1.01601   119.55514    -2.73781
   29    24 S   S    _SG2    35     1.82930   111.40943   -65.09064
   30    27 S   CT   _CA3    26     1.45301   123.23758   177.24125
   31    30 S   HC   HA31    27     1.09544   107.44687   -67.26186
   32    30 S   HC   HA32    28     1.09559   108.07484    49.20492
   33    29 S   CT   _C21    36     1.86884   101.98387   170.02959
   34    30 S   CO3  _C3_    29     1.52976   114.05534   171.34862
   35    34 S   O2Z  _O31    30     1.26379   116.06650     2.21222
   36    34 S   O2Z  _O32    31     1.26430   114.43548  -177.70689
   37    33 S   CM   _C17    37     1.51824   105.89025   173.56437
   38    37 S   HC   _H15    38     1.08959   117.95631   -41.38970
   39    33 S   CT   _C15    48     1.55908   112.37986    52.52417
   40    39 S   HC   _H12    49     1.09977   108.42986  -177.34539
   41    39 S   HC   _H13    50     1.09908   108.48217   -65.00124
   42    37 S   CM   _C16    39     1.33886   125.17843   139.85898
   43    42 S   HC   _H14    40     1.08362   121.62093   179.15674
   44    39 S   CT1  _C13    51     1.53966   116.55600    59.18190
   45    44 S   HC   _H11    52     1.09447   111.58311   -46.12773
   46    42 S   CO4  _C18    41     1.47267   120.44842     1.36487
   47    46 S   O    _O7_    42     1.22040   122.95487   176.43707
   48    44 S   NIP  _N5_    53     1.49597   107.26851  -162.88042
   49    48 S   H    _H10    54     1.02580   115.74624   -68.19035
   50    44 S   CO3  _C14    76     1.53809   115.21022    80.58595
   51    50 S   O2Z  _O5_    77     1.26354   114.60988  -136.48549
   52    50 S   O2Z  _O6_    78     1.26323   115.80393    44.15778
   53    46 S   CO4  _C19    43     1.50562   117.41937    -3.12975
   54    53 S   O    _O8_    44     1.22161   119.21997   160.78800
   55    48 S   CG   _C9_    55     1.28475   125.70173   112.11002
   56    55 S   HC   _H6_    56     1.09827   118.10822     0.49496
   57    33 S   CT   _C20    45     1.54487   107.37764   -68.66057
   58    57 S   HC   _H16    46     1.09590   111.39268    78.29343
   59    57 S   HC   _H17    47     1.09819   112.08159   -42.26698
   60    55 S   CM   _C8_    57     1.47446   122.26320  -179.53438
   61    60 S   HC   _H5_    58     1.08755   116.27413    -0.71792
   62    60 S   CM   _C7_    59     1.34515   124.50032  -179.60534
   63    62 S   CM   _C6_    60     1.46015   125.63928    -1.44915
   64    63 S   HC   _H4_    61     1.08361   118.57838   -15.72233
   65    63 S   CM   _C4_    62     1.34631   121.12838   163.92806
   66    65 S   NE   _N4_    63     1.38393   121.74627    -1.71475
   67    66 S   H    _H3_    64     1.01666   116.27643  -173.45336
   68    65 S   CO3  _C5_    73     1.55900   119.55475   179.63738
   69    68 S   O2Z  _O1_    74     1.26752   114.69573  -174.59459
   70    68 S   O2Z  _O33    75     1.26465   116.57239     5.55361
   71    66 S   CT1  _C12    65     1.45419   123.53794    -6.07115
   72    71 S   HC   _H9_    66     1.09752   108.57184   147.34407
   73    62 S   CT   _C11    67     1.52468   119.85076   178.96561
   74    73 S   HC   _H7_    68     1.09715   111.28265   -15.37270
   75    73 S   HC   _H8_    69     1.09947   107.25537   100.46767
   76    71 S   CO3  _C10    70     1.54054   107.96423   -97.77681
   77    76 S   O2Z  _O3_    71     1.26677   114.78966   -61.27765
   78    76 S   O2Z  _O4_    72     1.26361   116.41292   120.34516
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  13   5  15   6   5   6   3  10   6   6   3   9
   4   3   1   1   4   3   6   3   2   1   1   9   3  11  11   4
   9  12   5   3   1   1   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    57    58    59    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    53    54    57    58    59    39    40    41    44    45    48    50  
   35    36  
   36  
    0  
   38    42    43    46    47    53    57    58    59    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    49    55    50    51    52    42    53    57    58    59  
   41    44    45    48    50    57  
   44    45    48    50    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    55    56    60    50    51    52    57  
   48    49    55    50    51    52  
   47    53    54    57    58    59  
   53    54    57  
   49    55    56    60    61    62    50    51    52  
   55    56    60    50  
   51    52    55  
   52  
    0  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    73  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    64    65    71    73    74    75  
   62    63    73  
   63    64    65    66    71    72    73    74    75    76    68  
   64    65    66    67    71    73    74    75    68    69    70  
   65    66    73    68  
   66    67    71    72    73    76    68    69    70  
   67    71    72    73    74    75    76    77    78    68    69    70  
   71    72    73    76    68  
   69    70    71  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   66   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    53   250.000  1.523
   53    54   570.000  1.229
   53    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   280.000  1.462
   44    50   317.000  1.522
   48    49   490.000  1.015
   48    55   635.000  1.286
   55    56   385.000  1.083
   55    60   400.000  1.403
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   380.000  1.444
   62    73   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   425.000  1.378
   65    68   230.000  1.545
   66    67   434.000  1.010
   66    71   382.000  1.448
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   656.000  1.250
   76    78   656.000  1.250
   68    69   656.000  1.250
   68    70   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    53    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  116.00000
   46    42    43    40.00000  117.72500
   46    53    54    80.00000  119.30300
   46    53    57    65.00000  115.45000
   53    46    47    80.00000  119.30300
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   57    53    54    80.00000  120.40000
   59    57    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    48    75.00000  111.57000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    45.00000  117.21000
   44    48    55    70.00000  122.59000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  106.46400
   48    55    56    45.00000  118.03900
   48    55    60    65.00000  126.03000
   55    48    49    45.00000  118.89500
   55    60    61    40.00000  116.17200
   55    60    62    65.00000  121.68800
   60    55    56    40.00000  123.36000
   60    62    63    70.00000  123.01800
   60    62    73    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    73    71    70.00000  112.02700
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   63    65    66    70.00000  124.03900
   63    65    68    55.00000  124.75400
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  114.50000
   65    66    71    50.00000  121.00000
   65    68    69    85.00000  113.83300
   65    68    70    85.00000  113.83300
   66    71    72    35.00000  109.50000
   66    71    73    80.00000  111.61500
   66    71    76    63.00000  110.10000
   71    66    67    35.00000  112.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    76    77    70.00000  117.00000
   71    76    78    70.00000  117.00000
   73    62    63    70.00000  124.00000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    63.00000  111.10000
   78    76    77    80.00000  126.00000
   68    65    66    80.00000  114.48000
   70    68    69    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  110.00000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    50  -0.84850  1.0 1.0
   33    39    44    50  -0.22800 -1.0 2.0
   33    39    44    50   0.29250  1.0 3.0
   37    33    57    53  -0.98800  1.0 1.0
   37    33    57    53   0.48800 -1.0 2.0
   37    33    57    53   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    53   0.50400  1.0 1.0
   37    42   -46    53   1.60000 -1.0 2.0
   37    42   -46    53  -0.01800  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    53    54   0.03000  1.0 1.0
   42    46    53    54   0.58800 -1.0 2.0
   42    46    53    54   0.15550  1.0 3.0
   42    46    53    57   0.43900  1.0 1.0
   42    46    53    57  -0.18150 -1.0 2.0
   42    46    53    57  -0.03650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.92800 -1.0 2.0
   46    53   -57    33   0.65300  1.0 1.0
   46    53   -57    33  -0.03850 -1.0 2.0
   46    53   -57    33   0.33900  1.0 3.0
   46    53    57    58   0.00000  1.0 1.0
   46    53    57    59   0.00000  1.0 1.0
   47    46    53    54   0.06100 -1.0 2.0
   47    46    53    57   0.49600 -1.0 2.0
   54    53    57    33   0.30150 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42   0.09850  1.0 1.0
   57    33   -37    42   0.15250 -1.0 2.0
   57    33   -37    42  -0.50650  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.56750  1.0 1.0
   57    33    39    44  -0.07550 -1.0 2.0
   57    33    39    44   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    53  -0.95700  1.0 1.0
   39    33    57    53  -0.18200 -1.0 2.0
   39    33    57    53   0.29450  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.00000  1.0 1.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48    55    56   2.00000 -1.0 2.0
   44    48    55    60   2.00000 -1.0 2.0
   45    44    48    49   0.09500  1.0 3.0
   45    44    48    55  -0.22200  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    55    60    61   0.97550 -1.0 2.0
   48    55    60    62   1.09700  1.0 1.0
   48    55    60    62   0.56350 -1.0 2.0
   48    55    60    62   0.49350  1.0 3.0
   49    48    55    56   2.00000 -1.0 2.0
   49    48    55    60   2.00000 -1.0 2.0
   55    60    62    63   7.00000 -1.0 2.0
   55    60    62    73   7.00000 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   1.36050 -1.0 2.0
   60    62    63    64  -0.18600  1.0 3.0
   60    62    63    65   0.28850  1.0 1.0
   60    62    63    65   2.61350 -1.0 2.0
   60    62    63    65   0.78400  1.0 3.0
   60    62    73    71   0.09850  1.0 1.0
   60    62    73    71   0.15250 -1.0 2.0
   60    62    73    71  -0.50650  1.0 3.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    73   7.00000 -1.0 2.0
   62    63    65    66   7.00000 -1.0 2.0
   62    63    65    68   7.00000 -1.0 2.0
   63    62    73    71   0.98200  1.0 1.0
   63    62    73    71  -0.11900 -1.0 2.0
   63    62    73    71   0.24250  1.0 3.0
   63    62    73    74   0.00000  1.0 1.0
   63    62    73    75   0.00000  1.0 1.0
   63    65    66    67   1.00000 -1.0 2.0
   63    65   -66    71  -0.54700  1.0 1.0
   63    65   -66    71   1.23000 -1.0 2.0
   63    65    68    69  -0.04000 -1.0 2.0
   63    65    68    69  -0.29050  1.0 3.0
   63    65    68    70  -0.04000 -1.0 2.0
   63    65    68    70  -0.29050  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    68   7.00000 -1.0 2.0
   65    66    71    72   0.00000  1.0 1.0
   65    66    71    73   0.25450  1.0 1.0
   65    66    71    73  -0.61700 -1.0 2.0
   65    66    71    73  -0.23550  1.0 3.0
   65    66    71    76  -0.12500  1.0 1.0
   65    66    71    76  -0.12500 -1.0 2.0
   65    66    71    76   0.25000  1.0 3.0
   66    65    68    69   1.91650 -1.0 2.0
   66    65    68    70   1.91650 -1.0 2.0
   66    71   -73    62   0.21700  1.0 1.0
   66    71   -73    62   0.68550 -1.0 2.0
   66    71   -73    62  -0.27950  1.0 3.0
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   66    71    73    75   0.22950  1.0 3.0
   66    71    76    77   0.00000  1.0 1.0
   66    71    76    78   0.00000  1.0 1.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    76   0.00000  1.0 1.0
   72    71    73    62   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    76    77   0.00000  1.0 1.0
   72    71    76    78   0.00000  1.0 1.0
   73    62    63    64   0.00000  1.0 1.0
   73    62   -63    65  -0.18600  1.0 3.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   76    71    73    62  -0.98800  1.0 1.0
   76    71    73    62   0.48800 -1.0 2.0
   76    71    73    62   0.76800  1.0 3.0
   76    71    73    74  -0.03800  1.0 3.0
   76    71    73    75  -0.03800  1.0 3.0
   68    65    66    67   1.82350 -1.0 2.0
   68    65    66    71   1.00000 -1.0 2.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    57    53    54  10.50000 -1.0 2.0
   44    49    48    55   1.00000 -1.0 2.0
   60    56    55    48  10.50000 -1.0 2.0
   55    61    60    62   1.10000 -1.0 2.0
   63    73    62    60   1.10000 -1.0 2.0
   62    64    63    65   1.10000 -1.0 2.0
   66    68    65    63   1.10000 -1.0 2.0
   71    65    66    67   1.00000 -1.0 2.0
   77    71    76    78  10.50000 -1.0 2.0
   69    65    68    70  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
