* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    139    197     406
    1     0 S   NP   _N1_     1    30.97810    89.98479   -20.43061
    2     1 S   H    _HN1     2     1.03541   126.20883   -35.60587
    3     1 S   H    _H1_     3     1.03205   110.32174    95.13981
    4     1 S   H    _H2_     4     1.02682    23.64935     7.90331
    5     1 S   CT   _CA1     5     1.50072    89.39476  -152.49231
    6     5 S   HC   _HA1     6     1.09553   105.20368    67.72419
    7     5 S   CO3  _C1_     7     1.53626   113.17472   -52.97276
    8     7 S   O2Z  _O11     8     1.26363   115.27415   -39.11462
    9     7 S   O2Z  _O12     9     1.26290   114.89826   140.26904
   10     5 S   CT   _CB1    10     1.52711   107.00570  -174.30622
   11    10 S   HC   HB11    11     1.09697   109.19066   -48.34110
   12    10 S   HC   HB12    12     1.09772   110.07725    67.71465
   13    10 S   CT   _CG1    13     1.52996   113.88442  -169.28682
   14    13 S   HC   HG11    14     1.09516   111.35196   -74.20082
   15    13 S   HC   HG12    15     1.09566   111.13419    46.01113
   16    13 S   C    _CD1    16     1.51365   108.40186   164.67853
   17    16 S   O    _OE1    17     1.22830   121.72013   -97.72649
   18    16 S   N    _N2_    18     1.38407   112.86806    78.94358
   19    18 S   H    _HN2    19     1.01543   119.20623     9.81105
   20    18 S   CT1  _CA2    20     1.46072   123.13369  -167.04963
   21    20 S   HC   _HA2    21     1.09550   108.44328    14.84423
   22    20 S   C    _C2_    22     1.53626   110.79719  -101.36892
   23    22 S   O    _O2_    23     1.23165   121.87345  -151.30438
   24    20 S   CT   _CB2    32     1.53818   111.48219   135.68088
   25    24 S   HC   HB21    33     1.09698   109.08718    74.70383
   26    24 S   HC   HB22    34     1.09475   110.74603  -169.05001
   27    22 S   N    _N3_    24     1.38220   114.50220    35.82382
   28    27 S   H    _HN3    25     1.01540   119.82160    -2.16193
   29    24 S   S    _SG2    35     1.83156   115.60126   -43.57990
   30    27 S   CT   _CA3    26     1.45335   122.84772   177.06889
   31    30 S   HC   HA31    27     1.09558   107.42327   -66.17157
   32    30 S   HC   HA32    28     1.09571   108.01589    50.17605
   33    29 S   CT   _C8_    36     1.84277   101.71955   -67.10261
   34    33 S   HC   _H7_    37     1.09574   106.69656    44.65755
   35    30 S   CO3  _C3_    29     1.52893   114.39512   172.33338
   36    35 S   O2Z  _O31    30     1.26321   116.14845     1.38607
   37    35 S   O2Z  _O32    31     1.26465   114.37759  -178.55139
   38    33 S   CT   _C9_    38     1.54752   112.59521   -73.88699
   39    38 S   HC   _H8_    39     1.09446   110.04613    45.03854
   40    38 S   CT   _C4_    40     1.53674   114.10215   -78.20894
   41    40 S   HC   _H3_    41     1.09688   109.66389  -170.60066
   42    38 S   OS   _O33    74     1.43290   107.91759   162.80292
   43    40 S   CT   _C5_    42     1.53668   110.77184   -51.55805
   44    43 S   HC   _H4_    43     1.09761   108.59477   -64.18030
   45    40 S   OS   _O49    68     1.42481   110.27810    70.02749
   46    42 S   P2   _P1_    75     1.62915   119.06641  -104.47185
   47    46 S   O2Z  _O36    76     1.51072   109.35822   -73.48464
   48    46 S   O2Z  _O34    77     1.51099   109.46229    61.63121
   49    43 S   CT   _C6_    44     1.53532   113.05459    55.79681
   50    49 S   HC   _H5_    45     1.09466   107.50473  -176.42516
   51    43 S   OS   _O45    61     1.42764   109.43231   177.45647
   52    45 S   P2   _P5_    69     1.62875   119.37589    96.73995
   53    52 S   O2Z  _O52    70     1.51087   109.47044   -69.26955
   54    52 S   O2Z  _O50    71     1.51130   109.58574    66.06909
   55    46 S   OS   _O35    78     1.63036    98.20795   173.74336
   56    55 S   HO   _H9_    79     0.97872   116.00015   -77.74758
   57    33 S   CT   _C7_    46     1.55564   110.17628   159.41760
   58    57 S   HC   _H6_    47     1.09439   108.57122   -42.51779
   59    49 S   OS   _O41    54     1.42627   110.14856    66.80672
   60    51 S   P1   _P4_    62     1.61315   119.38779   108.34143
   61    60 S   O2Z  _O46    63     1.49901   115.27767    60.55592
   62    52 S   OS   _O51    72     1.63069    98.45521   178.49624
   63    62 S   HO   _H15    73     0.97825   116.12898   178.01082
   64    57 S   OS   _O37    48     1.43293   107.17528  -158.04693
   65    59 S   P1   _P3_    55     1.61362   119.50171   145.60559
   66    65 S   O2Z  _O42    56     1.50001   115.60618    55.54132
   67    60 S   OS   _O47    64     1.61259   104.31709   -66.29474
   68    67 S   HO   _H13    65     0.97866   118.18627   170.84228
   69    60 S   OS   _O48    66     1.61376   103.41203  -173.88948
   70    69 S   HO   _H14    67     0.97876   117.85336  -170.06779
   71    64 S   P2   _P2_    49     1.63065   120.32740   157.69126
   72    71 S   O2Z  _O40    50     1.51023   109.60923    84.22205
   73    71 S   O2Z  _O38    51     1.51219   110.13399   -51.09077
   74    65 S   OS   _O43    57     1.61332   104.14168   -71.30412
   75    74 S   HO   _H11    58     0.97892   118.05705   171.00831
   76    65 S   OS   _O44    59     1.61334   103.39908  -178.71732
   77    76 S   HO   _H12    60     0.97892   117.97942  -169.02829
   78    71 S   OS   _O39    52     1.63032    98.10808  -163.18497
   79    78 S   HO   _H10    53     0.97879   116.21841    78.65222
  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  10   5   4   3
  16   8   2   1   1  17   7  16   7   8  15   7   7   4   3   2
  12   6   8   4   3   2   1   1   8   3   7   5   4   1   1   5
   5   4   3   1   1   1   4   3   2   3   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    64    71    59    45    42    46  
   38    39    40    49    57    58    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    64    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    62    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    64    59    65    51    60    61    67    69    45    52  
   49    50    57    59    51    60    45  
   52    53    54    62    63    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    64    71    59    65    66    74    76    51    60  
   57    58    64    59    65    51  
   60    61    67    68    69    70    57    59  
   53    54    62    63  
   54    62    63  
   62    63  
   56  
    0  
   58    64    71    72    73    78    59    65  
   64    71    59  
   65    66    74    75    76    77    64  
   61    67    68    69    70  
   67    68    69    70  
   63  
    0  
   71    72    73    78    79  
   66    74    75    76    77  
   74    75    76    77  
   68    69    70  
   69  
   70  
    0  
   72    73    78    79  
   73    78    79  
   78    79  
   75    76    77  
   76  
   77  
    0  
   79  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   67   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    78   230.000  1.697
   78    79   553.000  0.945
   59    65   405.000  1.623
   65    66   675.000  1.490
   65    74   405.000  1.623
   65    76   405.000  1.623
   74    75   553.000  0.945
   76    77   553.000  0.945
   51    60   405.000  1.623
   60    61   675.000  1.490
   60    67   405.000  1.623
   60    69   405.000  1.623
   67    68   553.000  0.945
   69    70   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    62   230.000  1.697
   62    63   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   553.000  0.945
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   49    59    65    75.00000  119.24600
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    64    71   100.00000  120.50000
   64    57    58    35.00000  109.50000
   64    71    72   100.00000  108.23000
   64    71    73   100.00000  108.23000
   64    71    78    45.00000  102.60000
   71    78    79    45.00000  108.50000
   73    71    72   140.00000  119.90000
   78    71    72   100.00000  108.23000
   78    71    73   100.00000  108.23000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    65    66   100.00000  115.86100
   59    65    74   120.00000  102.38000
   59    65    76   120.00000  102.38000
   65    74    75    50.00000  113.86100
   65    76    77    50.00000  113.86100
   74    65    66   100.00000  115.86100
   76    65    66   100.00000  115.86100
   76    65    74   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  115.86100
   51    60    67   120.00000  102.38000
   51    60    69   120.00000  102.38000
   60    67    68    50.00000  113.86100
   60    69    70    50.00000  113.86100
   67    60    61   100.00000  115.86100
   69    60    61   100.00000  115.86100
   69    60    67   120.00000  102.38000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    62    45.00000  102.60000
   52    62    63    45.00000  108.50000
   54    52    53   140.00000  119.90000
   62    52    53   100.00000  108.23000
   62    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    57    64    71  -2.65550  1.0 1.0
   33    57    64    71  -0.22350 -1.0 2.0
   33    57    64    71   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    64   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    64   0.62750  1.0 1.0
   38    33    57    64  -0.30950 -1.0 2.0
   38    33    57    64   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    62   0.05050  1.0 1.0
   40    45    52    62  -1.30700 -1.0 2.0
   40    45    52    62   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    64   0.62750  1.0 1.0
   43    49    57    64  -0.30950 -1.0 2.0
   43    49    57    64   0.27300  1.0 3.0
   43    49    59    65  -2.65550  1.0 1.0
   43    49    59    65  -0.22350 -1.0 2.0
   43    49    59    65   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    67   0.91800  1.0 1.0
   43    51    60    67   0.22900 -1.0 2.0
   43    51    60    67   0.32050  1.0 3.0
   43    51    60    69   0.91800  1.0 1.0
   43    51    60    69   0.22900 -1.0 2.0
   43    51    60    69   0.32050  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    64    71  -2.65550  1.0 1.0
   49    57    64    71  -0.22350 -1.0 2.0
   49    57    64    71   0.24150  1.0 3.0
   49    59    65    66   0.00000  1.0 1.0
   49    59    65    74   0.91800  1.0 1.0
   49    59    65    74   0.22900 -1.0 2.0
   49    59    65    74   0.32050  1.0 3.0
   49    59    65    76   0.91800  1.0 1.0
   49    59    65    76   0.22900 -1.0 2.0
   49    59    65    76   0.32050  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   50    49    59    65   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    65  -2.65550  1.0 1.0
   57    49    59    65  -0.22350 -1.0 2.0
   57    49    59    65   0.24150  1.0 3.0
   57    64    71    72   0.00000  1.0 1.0
   57    64    71    73   0.00000  1.0 1.0
   57    64    71    78   0.05050  1.0 1.0
   57    64    71    78  -1.30700 -1.0 2.0
   57    64    71    78   0.91550  1.0 3.0
   58    57    64    71   0.03000  1.0 3.0
   64    71    78    79   0.00000  1.0 1.0
   72    71    78    79   0.00000  1.0 1.0
   73    71    78    79   0.00000  1.0 1.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    64   1.11900  1.0 1.0
   59    49    57    64  -1.16350 -1.0 2.0
   59    49    57    64  -0.34150  1.0 3.0
   59    65    74    75  -0.22900  1.0 1.0
   59    65    74    75   0.09450 -1.0 2.0
   59    65    74    75  -0.07800  1.0 3.0
   59    65    76    77  -0.22900  1.0 1.0
   59    65    76    77   0.09450 -1.0 2.0
   59    65    76    77  -0.07800  1.0 3.0
   66    65    74    75   0.00000  1.0 1.0
   66    65    76    77   0.00000  1.0 1.0
   74    65    76    77  -0.22900  1.0 1.0
   74    65    76    77   0.09450 -1.0 2.0
   74    65    76    77  -0.07800  1.0 3.0
   76    65    74    75  -0.22900  1.0 1.0
   76    65    74    75   0.09450 -1.0 2.0
   76    65    74    75  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    67    68  -0.22900  1.0 1.0
   51    60    67    68   0.09450 -1.0 2.0
   51    60    67    68  -0.07800  1.0 3.0
   51    60    69    70  -0.22900  1.0 1.0
   51    60    69    70   0.09450 -1.0 2.0
   51    60    69    70  -0.07800  1.0 3.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    69    70   0.00000  1.0 1.0
   67    60    69    70  -0.22900  1.0 1.0
   67    60    69    70   0.09450 -1.0 2.0
   67    60    69    70  -0.07800  1.0 3.0
   69    60    67    68  -0.22900  1.0 1.0
   69    60    67    68   0.09450 -1.0 2.0
   69    60    67    68  -0.07800  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    62    63   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   54    52    62    63   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
END
