* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    147    225     428
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081    95.30617    30.95701
    3     1 S   H    _H1_     3     1.02059    33.95933   146.90503
    4     1 S   H    _H2_     4     1.02137    84.62774   -77.39150
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C6_    36     1.86319    96.94458  -178.13512
   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   CT   _C7_    37     1.55063   108.52133   160.00521
   38    37 S   HC   _H3_    38     1.10123   109.72375    61.51420
   39    33 S   CT   _C20    77     1.54143   104.53882   -80.11855
   40    39 S   HC   _H19    78     1.08383   109.18915    62.56013
   41    39 S   HC   _H20    79     1.08429   109.11288   -57.39632
   42    39 S   HC   _H21    80     1.08377   109.12495  -177.39023
   43    37 S   CT   _C8_    39     1.54365   110.14325  -179.01603
   44    43 S   HC   _H4_    40     1.13179   105.94675   -63.01034
   45    37 S   CO4  _C16    64     1.51116   111.84610   -55.75963
   46    45 S   O    _O36    65     1.22345   124.02347   -60.49614
   47    43 S   CA   _C10    41     1.52726   112.58813  -174.63038
   48    43 S   CT   _C9_    53     1.53297   110.32887    54.96679
   49    48 S   HC   _H8_    54     1.09643   112.66299    94.70603
   50    45 S   OS   _O37    66     1.36297   109.53675   119.53170
   51    47 S   CA   _C11    42     1.40671   120.78979   -96.45352
   52    51 S   HA   _H9_    43     1.08975   118.98768    -0.03426
   53    48 S   CD   _C5_    55     1.51833   114.81457   -30.19506
   54    48 S   NO2  _N5_    61     1.48280   107.60761  -149.16374
   55    54 S   ON   _O34    62     1.23905   117.39036  -120.55152
   56    54 S   ON   _O33    63     1.23889   117.14786    58.41154
   57    50 S   CT   _C17    67     1.43066   115.45582   180.00000
   58    57 S   HC   _H12    68     1.09490   107.40761   -29.97328
   59    51 S   CA   _C12    44     1.41950   123.26538  -179.97202
   60    59 S   HA   _H10    45     1.08903   118.25775   179.96044
   61    33 S   NI   _N4_    56     1.46763   112.67395    35.59884
   62    53 S   CT   _C4_    57     1.51369   117.67333  -179.13340
   63    62 S   HC   _H5_    58     1.08314   108.77994    90.03010
   64    62 S   HC   _H6_    59     1.08339   108.88212   -30.18198
   65    62 S   HC   _H7_    60     1.08402   108.78270  -149.83230
   66    57 S   CT   _C18    69     1.52163   109.24149    88.63200
   67    66 S   HC   _H13    70     1.09435   111.21543    62.62468
   68    66 S   HC   _H14    71     1.09478   110.35851  -176.67592
   69    66 S   HC   _H15    72     1.09571   111.10584   -58.53280
   70    57 S   CT   _C19    73     1.52117   109.26633  -148.69670
   71    70 S   HC   _H16    74     1.09436   111.30242   -62.57315
   72    70 S   HC   _H17    75     1.09459   110.38352   176.64001
   73    70 S   HC   _H18    76     1.09578   111.01888    58.54196
   74    59 S   CA   _C13    46     1.40691   123.24980    -0.05234
   75    74 S   HA   _H11    47     1.08315   122.19409   180.00000
   76    74 S   CB   _C14    48     1.40630   114.43780     0.01978
   77    47 S   CB   _C15    49     1.40679   124.81112    83.50375
   78    77 S   N5A  _N6_    50     1.33883   129.49601     0.00000
   79    78 S   OA   _O35    51     1.38458   105.91268   179.98022
   80    76 S   N5A  _N7_    52     1.33839   129.51304   179.96044
  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  11   5   4   3
  16   2   1   1  19   9   7   3   2   1  19   8   9   2  14  12
   6  10   8   4   8   4   1   1   9   8   6   3   4   3   2   1
   1   7   3   2   1   3   2   1   1   6   3   4   3   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    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    53    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    53    61    62    45    46    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    51    77    48    49    53    61    54    45    46    50    57    39    40    41    42  
   43    44    47    48    61    45    46    50    39  
   40    41    42    43    45    53    61  
   41    42    61  
   42    61  
   61  
   44    47    51    52    59    76    77    78    48    49    53    61    62    54    55    56    45    46    50  
   47    51    77    48    49    53    54    45  
   46    50    57    58    66    70    47    48    61  
   50    57  
   51    52    59    60    74    76    77    78    79    80    48    49    53    54  
   49    53    61    62    63    64    65    54    55    56    51    77  
   53    61    62    54    55    56  
   57    58    66    67    68    69    70    71    72    73  
   52    59    60    74    75    76    77    78  
   59    60    74    77  
   61    62    63    64    65    54    55    56  
   55    56    61    62  
   56  
    0  
   58    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   60    74    75    76    77    80  
   74    75    76  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.387700   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   54   3.2500   0.1200   0.540000   1.8650   1.6500   0.020864068  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   61   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   62   3.5000   0.0660  -0.143900   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   78   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   79   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
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    61   315.000  1.435
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   268.000  1.529
   47    51   469.000  1.400
   47    77   475.000  1.379
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   59    74   469.000  1.400
   74    75   367.000  1.080
   74    76   475.000  1.379
   76    77   400.000  1.418
   76    80   515.000  1.335
   77    78   515.000  1.335
   78    79   462.000  1.399
   79    80   462.000  1.399
   48    49   340.000  1.090
   48    53   270.000  1.508
   48    54   375.000  1.490
   53    61   500.000  1.261
   53    62   270.000  1.508
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   550.000  1.225
   54    56   550.000  1.225
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    57   320.000  1.410
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    61    75.00000  111.34000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    61    53    70.00000  113.48600
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    58.35000  112.70000
   37    45    46    80.00000  120.40000
   37    45    50    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    51    70.00000  120.00000
   43    47    77    70.00000  120.00000
   43    48    49    37.50000  110.70000
   43    48    53    70.00000  111.76100
   43    48    54    63.00000  111.10000
   47    43    44    35.00000  109.50000
   47    51    52    35.00000  120.00000
   47    51    59    63.00000  120.00000
   47    77    76    65.00000  118.98700
   47    77    78    60.00000  134.84400
   51    59    60    35.00000  120.00000
   51    59    74    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    74    75    35.00000  120.00000
   59    74    76    70.00000  117.01800
   74    59    60    35.00000  120.00000
   74    76    77    65.00000  118.98700
   74    76    80    60.00000  134.84400
   76    74    75    40.00000  121.44600
   76    77    78    80.00000  113.57000
   76    80    79   120.00000  103.45200
   77    47    51    70.00000  117.01800
   77    78    79   120.00000  103.45200
   78    79    80   120.00000  111.70000
   80    76    77    80.00000  113.57000
   48    43    44    37.50000  110.70000
   48    43    47    70.00000  112.17500
   48    53    61    65.00000  122.10100
   48    53    62    65.00000  114.98000
   48    54    55    80.00000  117.50000
   48    54    56    80.00000  117.50000
   53    48    49    45.00000  109.49600
   53    62    63    45.00000  109.49600
   53    62    64    45.00000  109.49600
   53    62    65    45.00000  109.49600
   61    33    37    80.00000  110.18800
   62    53    61    65.00000  122.10100
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    48    49    35.00000  105.00000
   54    48    53    75.00000  107.83000
   56    54    55    80.00000  125.30000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    50    57    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    57    58    35.00000  109.50000
   50    57    66    50.00000  109.50000
   50    57    70    50.00000  109.50000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   57    70    71    37.50000  110.70000
   57    70    72    37.50000  110.70000
   57    70    73    37.50000  110.70000
   66    57    58    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    57    58    37.50000  110.70000
   70    57    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    80.00000  110.18800
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    61    53  -0.12500  1.0 1.0
   29    33    61    53  -0.12500 -1.0 2.0
   29    33    61    53   0.25000  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    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.56750  1.0 1.0
   33    37    43    48  -0.07550 -1.0 2.0
   33    37    43    48   0.20000  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    50   0.36750  1.0 3.0
   37    33    61    53  -0.12500  1.0 1.0
   37    33    61    53  -0.12500 -1.0 2.0
   37    33    61    53   0.25000  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    42   0.15000  1.0 3.0
   37    43    47    51   0.04150 -1.0 2.0
   37    43    47    77   0.04150 -1.0 2.0
   37    43    48    49   0.15000  1.0 3.0
   37    43   -48    53   0.34400  1.0 1.0
   37    43   -48    53   0.09450 -1.0 2.0
   37    43   -48    53   0.11100  1.0 3.0
   37    43    48    54   0.31400  1.0 1.0
   37    43    48    54   0.33800 -1.0 2.0
   37    43    48    54   0.03550  1.0 3.0
   37    45    50    57   1.63150  1.0 1.0
   37    45    50    57   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    50   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    50   0.36750  1.0 3.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47    51    59   3.62500 -1.0 2.0
   43    47    77    76   3.62500 -1.0 2.0
   43    47    77    78   3.62500 -1.0 2.0
   43    48    53    61   0.00000  1.0 1.0
   43    48    53    62   0.46850  1.0 1.0
   43    48    53    62   0.08550 -1.0 2.0
   43    48    53    62   0.09800  1.0 3.0
   43    48    54    55   0.03200 -1.0 2.0
   43    48    54    56   0.03200 -1.0 2.0
   44    43    47    51   0.00000  1.0 1.0
   44    43    47    77   0.00000  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    53   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   47    43    48    49   0.43200  1.0 3.0
   47    43    48    53   0.21200  1.0 1.0
   47    43    48    53   0.16900 -1.0 2.0
   47    43    48    53  -1.15100  1.0 3.0
   47    43    48    54   0.56750  1.0 1.0
   47    43    48    54  -0.07550 -1.0 2.0
   47    43    48    54   0.20000  1.0 3.0
   47    51    59    60   3.62500 -1.0 2.0
   47    51    59    74   3.62500 -1.0 2.0
   47    77    78    79   3.62500 -1.0 2.0
   51    47    77    76   3.62500 -1.0 2.0
   51    47    77    78   3.62500 -1.0 2.0
   51    59    74    75   3.62500 -1.0 2.0
   51    59   -74    76   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   52    51    59    74   3.62500 -1.0 2.0
   59    74    76    77   3.62500 -1.0 2.0
   59    74    76    80   3.62500 -1.0 2.0
   60    59    74    75   3.62500 -1.0 2.0
   60    59    74    76   3.62500 -1.0 2.0
   74    76   -77    47   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    80    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    80   3.62500 -1.0 2.0
   76    77   -78    79   3.62500 -1.0 2.0
   77    47    51    52   3.62500 -1.0 2.0
   77    47   -51    59   3.62500 -1.0 2.0
   77    76   -80    79   3.62500 -1.0 2.0
   77    78   -79    80   3.62500 -1.0 2.0
   78    79   -80    76   3.62500 -1.0 2.0
   80    76    77    47   3.62500 -1.0 2.0
   80    76   -77    78   3.62500 -1.0 2.0
   48    43    47    51   0.04150 -1.0 2.0
   48    43    47    77   0.04150 -1.0 2.0
   48    53   -61    33   6.00000 -1.0 2.0
   48    53    62    63   0.00000  1.0 1.0
   48    53    62    64   0.00000  1.0 1.0
   48    53    62    65   0.00000  1.0 1.0
   49    48    53    61   0.00000  1.0 1.0
   49    48    53    62   0.00000  1.0 1.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   53    48    54    55   0.50000 -1.0 2.0
   53    48    54    56   0.50000 -1.0 2.0
   61    33    37    38   0.15000  1.0 3.0
   61    33   -37    43   0.56750  1.0 1.0
   61    33   -37    43  -0.07550 -1.0 2.0
   61    33   -37    43   0.20000  1.0 3.0
   61    33    37    45   0.56750  1.0 1.0
   61    33    37    45  -0.07550 -1.0 2.0
   61    33    37    45   0.20000  1.0 3.0
   61    33    39    40   0.15000  1.0 3.0
   61    33    39    41   0.15000  1.0 3.0
   61    33    39    42   0.15000  1.0 3.0
   61    53    62    63   0.00000  1.0 1.0
   61    53    62    64   0.00000  1.0 1.0
   61    53    62    65   0.00000  1.0 1.0
   62    53    61    33   6.00000 -1.0 2.0
   54    48    53    61   0.00000  1.0 1.0
   54    48    53    62   0.00000  1.0 1.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.95700  1.0 1.0
   45    37    43    48  -0.18200 -1.0 2.0
   45    37    43    48   0.29450  1.0 3.0
   45    50    57    58   0.08050  1.0 3.0
   45    50    57    66  -0.25900  1.0 1.0
   45    50    57    66  -0.47000 -1.0 2.0
   45    50    57    66   0.11750  1.0 3.0
   45    50    57    70  -0.25900  1.0 1.0
   45    50    57    70  -0.47000 -1.0 2.0
   45    50    57    70   0.11750  1.0 3.0
   46    45    50    57   3.00000 -1.0 2.0
   50    57    66    67   0.23400  1.0 3.0
   50    57    66    68   0.23400  1.0 3.0
   50    57    66    69   0.23400  1.0 3.0
   50    57    70    71   0.23400  1.0 3.0
   50    57    70    72   0.23400  1.0 3.0
   50    57    70    73   0.23400  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    69   0.15000  1.0 3.0
   58    57    70    71   0.15000  1.0 3.0
   58    57    70    72   0.15000  1.0 3.0
   58    57    70    73   0.15000  1.0 3.0
   66    57    70    71   0.15000  1.0 3.0
   66    57    70    72   0.15000  1.0 3.0
   66    57    70    73   0.15000  1.0 3.0
   70    57    66    67   0.15000  1.0 3.0
   70    57    66    68   0.15000  1.0 3.0
   70    57    66    69   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    61    53  -0.12500  1.0 1.0
   39    33    61    53  -0.12500 -1.0 2.0
   39    33    61    53   0.25000  1.0 3.0
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
   51    77    47    43   4.00000 -1.0 2.0
   59    52    51    47   1.10000 -1.0 2.0
   74    60    59    51   1.10000 -1.0 2.0
   76    75    74    59   1.10000 -1.0 2.0
   77    80    76    74   4.00000 -1.0 2.0
   76    78    77    47   4.00000 -1.0 2.0
   48    62    53    61  10.50000 -1.0 2.0
   55    48    54    56  10.50000 -1.0 2.0
   37    50    45    46  10.50000 -1.0 2.0
END
