* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    239     450
    1     0 S   NP   _N1_     1    30.67040    95.70590   -14.93328
    2     1 S   H    _HN1     2     1.02943    63.50797   127.48458
    3     1 S   H    _H1_     3     1.02765    51.67998   -18.46636
    4     1 S   H    _H2_     4     1.03044   144.84014    46.00312
    5     1 S   CT   _CA1     5     1.50448   103.41495  -126.44841
    6     5 S   HC   _HA1     6     1.09687   104.85183    -5.42881
    7     5 S   CO3  _C1_     7     1.54546   110.71149  -121.70968
    8     7 S   O2Z  _O11     8     1.26159   116.66452  -111.51948
    9     7 S   O2Z  _O12     9     1.26529   113.82720    67.02235
   10     5 S   CT   _CB1    10     1.53101   107.17750   110.48412
   11    10 S   HC   HB11    11     1.09842   110.02409   -47.89649
   12    10 S   HC   HB12    12     1.09451   109.83878    67.65180
   13    10 S   CT   _CG1    13     1.53135   112.58384  -168.15114
   14    13 S   HC   HG11    14     1.09553   112.04716   -37.19817
   15    13 S   HC   HG12    15     1.09614   110.10498    81.14931
   16    13 S   C    _CD1    16     1.51556   111.31708  -158.18644
   17    16 S   O    _OE1    17     1.22792   121.94354  -103.26214
   18    16 S   N    _N2_    18     1.38377   112.55284    76.56840
   19    18 S   H    _HN2    19     1.01695   118.66333     2.78319
   20    18 S   CT1  _CA2    20     1.45850   123.53746   176.79069
   21    20 S   HC   _HA2    21     1.09712   109.07503    20.78811
   22    20 S   C    _C2_    22     1.52899   106.97736   -96.29600
   23    22 S   O    _O2_    23     1.22947   122.97192   -27.12765
   24    20 S   CT   _CB2    32     1.53394   111.97464   144.36322
   25    24 S   HC   HB21    33     1.09379   109.81554    52.04726
   26    24 S   HC   HB22    34     1.09521   110.46214   170.26875
   27    22 S   N    _N3_    24     1.38647   112.36389   155.97412
   28    27 S   H    _HN3    25     1.01492   119.71958     0.54176
   29    24 S   S    _SG2    35     1.82933   110.73379   -70.99653
   30    27 S   CT   _CA3    26     1.45429   122.71735   174.75746
   31    30 S   HC   HA31    27     1.09546   108.82362    32.67516
   32    30 S   HC   HA32    28     1.09476   107.17904   149.81024
   33    29 S   CT   _C20    36     1.89817   102.29688   145.44817
   34    30 S   CO3  _C3_    29     1.53104   113.81535   -90.14598
   35    34 S   O2Z  _O31    30     1.26364   115.98828   -26.74357
   36    34 S   O2Z  _O32    31     1.26440   114.56777   154.11029
   37    33 S   CT   _C14    37     1.57367   105.49103    64.25981
   38    37 S   HC   _H35    38     1.10021   107.17260    59.99586
   39    37 S   HC   _H36    39     1.09765   108.72334   -54.05814
   40    33 S   CT   _C19    61     1.57980   110.85550   -59.97714
   41    40 S   HC   _H41    62     1.09474   107.01286    91.69853
   42    33 S   CT   _C22    79     1.54286   101.82301   179.62154
   43    42 S   HC   _H45    80     1.09664   111.60301    63.99410
   44    42 S   HC   _H46    81     1.09751   111.82284   -56.66369
   45    42 S   HC   _H47    82     1.09223   112.64001  -175.50699
   46    37 S   CT   _C15    40     1.54334   122.86440  -177.42937
   47    46 S   HC   _H37    41     1.09704   108.18134  -175.18680
   48    40 S   OH   _O25    63     1.42893   111.11903   -23.36757
   49    48 S   HO   _H48    64     0.97508   108.80615   165.79744
   50    46 S   CM   _C4_    42     1.47585   115.13864    62.68746
   51    50 S   HC   _H28    43     1.08122   123.95033    51.74042
   52    50 S   CM   _C5_    44     1.33050   110.98921  -121.47637
   53    52 S   CO4  _C7_    45     1.46998   106.49870    -5.80397
   54    53 S   O    _O20    46     1.21820   125.60612  -175.79323
   55    52 S   CT   _C13    48     1.48262   128.41611   167.92001
   56    55 S   HC   _H33    49     1.09890   109.50384    21.99506
   57    55 S   HC   _H34    50     1.09723   109.40772   136.04339
   58    46 S   OS   _O23    47     1.42846   112.89062   -56.64051
   59    55 S   CT   _C18    51     1.55594   114.96084  -100.33458
   60    59 S   HC   _H40    52     1.09844   110.19895   -69.49806
   61    59 S   CT   _C16    53     1.56198   113.88454    53.29887
   62    61 S   HC   _H38    54     1.09702   108.45923    46.88364
   63    59 S   OS   _O26    68     1.45249   105.76275   172.09011
   64    61 S   CM   _C6_    55     1.49397   114.28573   169.55673
   65    63 S   CO4  _C12    69     1.36060   117.44321    87.12705
   66    65 S   O    _O22    70     1.22251   125.94003     1.42684
   67    64 S   CO4  _C8_    56     1.47201   110.51322   105.74999
   68    67 S   O    _O21    57     1.21798   127.24788  -175.27171
   69    64 S   CM   _C9_    65     1.33613   128.16521   -79.25992
   70    69 S   HC   _H29    66     1.08437   120.82719     1.75925
   71    69 S   HC   _H30    67     1.08514   121.94916  -177.15848
   72    65 S   CM   _C11    71     1.48915   109.69502  -178.07573
   73    67 S   OS   _O24    58     1.35805   107.13924     5.62932
   74    72 S   CM   _C10    72     1.34153   117.33528  -172.88272
   75    74 S   HC   _H31    73     1.08557   120.95872  -179.50071
   76    74 S   HC   _H32    74     1.08540   122.48673     0.66735
   77    72 S   CT   _C21    75     1.49720   120.25943     8.17390
   78    77 S   HC   _H42    76     1.09401   110.59504   -65.97494
   79    77 S   HC   _H43    77     1.09499   110.66293    54.67099
   80    77 S   HC   _H44    78     1.09544   111.85739   174.28379
   81    61 S   CT   _C17    59     1.54082   112.04458   -77.13393
   82    81 S   HC   _H39    60     1.08205   109.84896     8.32773
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   5
   1   9   4  10   6   2  11   5   4   1  13   6  12   7   7   8
   9   3   7   3   4   1   1   7   2   6   2   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    81    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    58    61    73    81    82    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    53    58    81    40    41    48    42    43    44    45  
   39    46    47    50    58    40    42  
   46    47    50    58    40    42  
   41    48    49    42    43    44    45    46    59    61    62    64    67    73    81    82  
   48    49    42    61    73    81    82  
   43    44    45    46    48    81  
   44    45  
   45  
    0  
   47    50    51    52    53    54    58    55  
   50    51    52    53    58  
   49    61    73    81    82  
   81  
   51    52    53    54    58    55    56    57    59  
   52    53    58    55  
   53    54    58    55    56    57    59    60    61    63  
   54    58    55    56    57    59  
   58    55  
   56    57    59    60    61    62    64    81    63    65    58  
   57    59    60    61    63  
   59    60    61    63  
    0  
   60    61    62    64    67    73    81    82    69    63    65    66    72  
   61    62    64    81    63    65  
   62    64    67    68    73    81    82    69    70    71    63    65  
   64    67    73    81    82    69    63  
   65    66    72    74    77    64    81  
   67    68    73    81    82    69    70    71  
   66    72    74    75    76    77    78    79    80  
   72    74    77  
   68    73    81    82    69    70    71  
   73    81    69  
   70    71    73    81  
   71  
    0  
   74    75    76    77    78    79    80  
   81    82  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    58   320.000  1.410
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   53    58   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    81   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    81   320.000  1.410
   81    82   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    74   549.000  1.340
   72    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    70.00000  112.02700
   37    46    58    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    52    70.00000  124.00000
   46    58    53    83.00000  116.90000
   50    46    47    35.00000  109.50000
   50    52    53    65.00000  118.96000
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.02700
   58    46    47    35.00000  109.50000
   58    46    50    85.00000  110.90400
   58    53    54    83.00000  123.40000
   55    52    53    65.00000  116.34900
   55    59    60    37.50000  110.70000
   55    59    61    58.35000  112.70000
   55    59    63    50.00000  109.50000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    64    70.00000  112.02700
   59    61    81    58.35000  112.70000
   59    63    65    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    81    73    50.00000  109.50000
   61    81    82    37.50000  110.70000
   61    81    40    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    73    81    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    81    82    35.00000  109.50000
   73    81    40    50.00000  109.50000
   81    61    62    37.50000  110.70000
   81    61    64    70.00000  112.02700
   81    40    41    37.50000  110.70000
   81    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    74    65.00000  118.96000
   65    72    77    65.00000  116.34900
   72    65    66    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    76    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    72    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.34400  1.0 1.0
   33    37    46    50   0.09450 -1.0 2.0
   33    37    46    50   0.11100  1.0 3.0
   33    37    46    58   0.62750  1.0 1.0
   33    37    46    58  -0.30950 -1.0 2.0
   33    37    46    58   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    52   0.09850  1.0 1.0
   37    46    50    52   0.15250 -1.0 2.0
   37    46    50    52  -0.50650  1.0 3.0
   37    46    58    53  -0.25900  1.0 1.0
   37    46    58    53  -0.47000 -1.0 2.0
   37    46    58    53   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    58   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    58   0.23400  1.0 3.0
   46    50   -52    53   7.00000 -1.0 2.0
   46    50    52    55   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    58    53   0.08050  1.0 3.0
   50    46   -58    53  -0.82050  1.0 1.0
   50    46   -58    53   0.00600 -1.0 2.0
   50    46   -58    53   0.04400  1.0 3.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52   -53    58  -0.56150  1.0 1.0
   50    52   -53    58   2.19150 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    59   0.09850  1.0 1.0
   50    52    55    59   0.15250 -1.0 2.0
   50    52    55    59  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53   -58    46   2.00000 -1.0 2.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.34400  1.0 1.0
   52    55    59    61   0.09450 -1.0 2.0
   52    55    59    61   0.11100  1.0 3.0
   52    55    59    63   0.61850  1.0 1.0
   52    55    59    63  -0.22750 -1.0 2.0
   52    55    59    63   0.15300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.09700  1.0 1.0
   53    52    55    59   0.15600 -1.0 2.0
   53    52    55    59  -0.50800  1.0 3.0
   54    53    58    46   3.00000 -1.0 2.0
   58    46    50    51   0.00000  1.0 1.0
   58    46   -50    52   0.39000  1.0 1.0
   58    46   -50    52  -0.05800 -1.0 2.0
   58    46   -50    52  -0.55150  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    52    53    58  -0.15000  1.0 1.0
   55    52    53    58   0.89550 -1.0 2.0
   55    52    53    58  -0.06900  1.0 3.0
   55    59    61    62   0.15000  1.0 3.0
   55    59    61    64   0.34400  1.0 1.0
   55    59    61    64   0.09450 -1.0 2.0
   55    59    61    64   0.11100  1.0 3.0
   55    59    61    81   0.56750  1.0 1.0
   55    59    61    81  -0.07550 -1.0 2.0
   55    59    61    81   0.20000  1.0 3.0
   55    59    63    65  -0.25900  1.0 1.0
   55    59    63    65  -0.47000 -1.0 2.0
   55    59    63    65   0.11750  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.23400  1.0 3.0
   59    61    64    67   0.09700  1.0 1.0
   59    61    64    67   0.15600 -1.0 2.0
   59    61    64    67  -0.50800  1.0 3.0
   59    61    64    69   0.09850  1.0 1.0
   59    61    64    69   0.15250 -1.0 2.0
   59    61    64    69  -0.50650  1.0 3.0
   59    61    81    73   0.62750  1.0 1.0
   59    61    81    73  -0.30950 -1.0 2.0
   59    61    81    73   0.27300  1.0 3.0
   59    61    81    82   0.15000  1.0 3.0
   59    61    81    40   0.56750  1.0 1.0
   59    61    81    40  -0.07550 -1.0 2.0
   59    61    81    40   0.20000  1.0 3.0
   59    63    65    66   3.00000 -1.0 2.0
   59    63    65    72   2.00000 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    81   0.15000  1.0 3.0
   60    59    63    65   0.08050  1.0 3.0
   61    59    63    65  -0.25900  1.0 1.0
   61    59    63    65  -0.47000 -1.0 2.0
   61    59    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    73  -0.15000  1.0 1.0
   61    64   -67    73   0.89550 -1.0 2.0
   61    64   -67    73  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    81    40    33   0.56750  1.0 1.0
   61    81    40    33  -0.07550 -1.0 2.0
   61    81    40    33   0.20000  1.0 3.0
   61    81    40    41   0.15000  1.0 3.0
   61    81    40    48   0.86500  1.0 1.0
   61    81    40    48  -0.17500 -1.0 2.0
   61    81    40    48   0.20800  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    81    73   0.23400  1.0 3.0
   62    61    81    82   0.15000  1.0 3.0
   62    61    81    40   0.15000  1.0 3.0
   64    61   -81    73   0.61850  1.0 1.0
   64    61   -81    73  -0.22750 -1.0 2.0
   64    61   -81    73   0.15300  1.0 3.0
   64    61    81    82   0.15000  1.0 3.0
   64    61    81    40   0.34400  1.0 1.0
   64    61    81    40   0.09450 -1.0 2.0
   64    61    81    40   0.11100  1.0 3.0
   64    67   -73    81   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    73   -81    61  -0.25900  1.0 1.0
   67    73   -81    61  -0.47000 -1.0 2.0
   67    73   -81    61   0.11750  1.0 3.0
   67    73    81    82   0.08050  1.0 3.0
   67    73    81    40  -0.25900  1.0 1.0
   67    73    81    40  -0.47000 -1.0 2.0
   67    73    81    40   0.11750  1.0 3.0
   68    67    73    81   3.00000 -1.0 2.0
   73    81    40    33   0.62750  1.0 1.0
   73    81    40    33  -0.30950 -1.0 2.0
   73    81    40    33   0.27300  1.0 3.0
   73    81    40    41   0.23400  1.0 3.0
   73    81    40    48   3.69350  1.0 1.0
   73    81    40    48  -1.82950 -1.0 2.0
   81    61   -64    67   0.09700  1.0 1.0
   81    61   -64    67   0.15600 -1.0 2.0
   81    61   -64    67  -0.50800  1.0 3.0
   81    61    64    69   0.09850  1.0 1.0
   81    61    64    69   0.15250 -1.0 2.0
   81    61    64    69  -0.50650  1.0 3.0
   81    40    48    49  -0.11600  1.0 1.0
   81    40    48    49  -0.09450 -1.0 2.0
   81    40    48    49   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    64   0.61850  1.0 1.0
   63    59    61    64  -0.22750 -1.0 2.0
   63    59    61    64   0.15300  1.0 3.0
   63    59    61    81   0.62750  1.0 1.0
   63    59    61    81  -0.30950 -1.0 2.0
   63    59    61    81   0.27300  1.0 3.0
   63    65    72    74  -0.56150  1.0 1.0
   63    65    72    74   2.19150 -1.0 2.0
   63    65    72    77  -0.15000  1.0 1.0
   63    65    72    77   0.89550 -1.0 2.0
   63    65    72    77  -0.06900  1.0 3.0
   65    72    74    75   7.00000 -1.0 2.0
   65    72    74    76   7.00000 -1.0 2.0
   65    72    77    78   0.15000  1.0 3.0
   65    72    77    79   0.15000  1.0 3.0
   65    72    77    80   0.15000  1.0 3.0
   66    65    72    74   1.00000 -1.0 2.0
   66    65    72    77  -0.64400  1.0 1.0
   66    65    72    77   0.26850 -1.0 2.0
   74    72    77    78   0.00000  1.0 1.0
   74    72    77    79   0.00000  1.0 1.0
   74    72    77    80   0.00000  1.0 1.0
   77    72    74    75   7.00000 -1.0 2.0
   77    72    74    76   7.00000 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
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
   46    51    50    52   1.10000 -1.0 2.0
   53    55    52    50   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    77    72    74  15.00000 -1.0 2.0
   75    76    74    72  15.00000 -1.0 2.0
END
