* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    224     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02073    37.77295   126.73360
    3     1 S   H    _H1_     3     1.02093    77.28790   -87.50316
    4     1 S   H    _H2_     4     1.02056   100.41905    19.52316
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.84407    98.13339   161.76234
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C18    37     1.50967   107.59400   -59.98871
   38    37 S   HC   _H17    38     1.08868   117.55956    80.63261
   39    33 S   CT   _C12    48     1.53464   107.99784    59.28255
   40    39 S   HC   _H12    49     1.09381   108.14507  -177.43570
   41    39 S   HC   _H13    50     1.09417   107.75791   -61.66499
   42    37 S   CM   _C17    39     1.33878   124.94794   -99.31719
   43    42 S   HC   _H16    40     1.08279   121.48937   180.00000
   44    39 S   CT1  _C11    51     1.52796   112.31446    59.85756
   45    44 S   HC   _H4_    52     1.09776   108.99541   -38.02174
   46    42 S   CO4  _C16    41     1.47350   120.32342     2.44144
   47    46 S   O    _O34    42     1.22036   123.02309   176.38091
   48    44 S   CO3  _C19    53     1.53955   112.93014    81.16566
   49    48 S   O2Z  _O36    54     1.26171   116.44824    59.51432
   50    48 S   O2Z  _O35    55     1.26517   114.32921  -120.13404
   51    44 S   NE   _N5_    56     1.44620   110.94688  -154.75487
   52    51 S   H    _H11    57     1.02808   124.72715   -61.51338
   53    46 S   CO4  _C15    43     1.50409   117.98949    -2.83518
   54    53 S   O    _O33    44     1.22149   118.70112   162.21126
   55    51 S   CM   _C10    58     1.55818   119.52586   118.40568
   56    55 S   HC   _H10    59     1.09747   122.68388     0.08393
   57    33 S   CT   _C14    45     1.53758   109.35655   178.07583
   58    57 S   HC   _H14    46     1.09630   111.73599   -46.17667
   59    57 S   HC   _H15    47     1.09773   110.50136  -164.89329
   60    55 S   CM   _C9_    60     1.46181   116.47857  -179.92338
   61    60 S   HC   _H9_    61     1.08286   120.19818   -29.98100
   62    60 S   CM   _C8_    62     1.34210   118.28144   150.04975
   63    62 S   CM   _C7_    63     1.45576   121.61108    -0.05595
   64    63 S   HC   _H8_    64     1.08583   118.31938   -11.01887
   65    63 S   CM   _C6_    65     1.34130   120.06120   168.24092
   66    65 S   NE   _N4_    66     1.37426   123.41087    -2.30554
   67    66 S   H    _H7_    67     1.01492   117.44179  -176.78155
   68    65 S   CMA  _C20    76     1.51462   116.69706   179.19936
   69    68 S   OM   _O38    77     1.26323   115.04376   -60.02400
   70    68 S   OM   _O37    78     1.26262   115.10217   119.95966
   71    66 S   CT1  _C5_    68     1.44790   122.87977    -5.95127
   72    71 S   HC   _H3_    69     1.09478   110.09913   149.79978
   73    62 S   CT   _C4_    70     1.51954   121.95347  -179.09756
   74    73 S   HC   _H5_    71     1.09733   110.64007   -22.63503
   75    73 S   HC   _H6_    72     1.09901   107.10945    93.32692
   76    71 S   CO3  _C21    73     1.51414   105.94075   -93.44573
   77    76 S   O2Z  _O40    74     1.26227   115.27083    61.96856
   78    76 S   O2Z  _O39    75     1.26212   114.80048  -118.10359
  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   5
   2   1   6   3   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    51  
   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    50    51    52    55    42    53    57    58    59  
   41    44    45    48    51    57  
   44    45    48    51    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    50    51    52    55    56    60    57  
   48    49    50    51    52    55  
   47    53    54    57    58    59  
   53    54    57  
   49    50    51    52    55  
   50    51  
   51  
   52    55    56    60    61    62  
   55    56    60  
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   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  -0.583200   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   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   70   3.1500   0.2500  -0.773900   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   0.0150   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   317.000  1.522
   44    51   382.000  1.448
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   434.000  1.010
   51    55   425.000  1.378
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    73   317.000  1.510
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   425.000  1.378
   65    68   465.000  1.376
   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   745.000  1.250
   68    70   745.000  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    63.00000  111.10000
   39    44    51    80.00000  111.61500
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   44    51    52    35.00000  112.50000
   44    51    55    50.00000  121.00000
   48    44    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    48    63.00000  110.10000
   51    55    56    50.00000  112.30800
   51    55    60    70.00000  124.03900
   55    51    52    35.00000  114.50000
   55    60    61    35.00000  120.00000
   55    60    62    70.00000  123.01800
   60    55    56    35.00000  120.00000
   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    70.00000  117.34000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  114.50000
   65    66    71    50.00000  121.00000
   65    68    69    65.00000  137.10300
   65    68    70    65.00000  137.10300
   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    70.00000  124.03900
   70    68    69    65.00000  121.00000
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  -0.84850  1.0 1.0
   33    39    44    48  -0.22800 -1.0 2.0
   33    39    44    48   0.29250  1.0 3.0
   33    39    44    51   1.26750  1.0 1.0
   33    39    44    51  -0.00950 -1.0 2.0
   33    39    44    51   0.30600  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
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   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
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   39    44    51    52   0.00000  1.0 1.0
   39    44    51    55   0.25450  1.0 1.0
   39    44    51    55  -0.61700 -1.0 2.0
   39    44    51    55  -0.23550  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48  -0.03800  1.0 3.0
   40    39    44    51   0.22950  1.0 3.0
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   62    63    65    66  -0.18600  1.0 3.0
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   62    63    65    68   2.61350 -1.0 2.0
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   63    62    73    71   0.09850  1.0 1.0
   63    62    73    71   0.15250 -1.0 2.0
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   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   7.00000 -1.0 2.0
   73    62   -63    65   7.00000 -1.0 2.0
   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   1.00000 -1.0 2.0
   68    65    66    71  -0.54700  1.0 1.0
   68    65    66    71   1.23000 -1.0 2.0
IPHI
    8     5     7     9  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
   35    30    34    36  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
   49    44    48    50  10.50000 -1.0 2.0
   52    55    51    44   1.00000 -1.0 2.0
   51    56    55    60  15.00000 -1.0 2.0
   62    61    60    55  15.00000 -1.0 2.0
   60    73    62    63   1.10000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   63    66    65    68   1.10000 -1.0 2.0
   67    65    66    71   1.00000 -1.0 2.0
   77    71    76    78  10.50000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
