* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    211     406
    1     0 S   NP   _N1_     1    28.70094    96.44251   -23.96793
    2     1 S   H    _HN1     2     1.02949    73.96894    10.60883
    3     1 S   H    _H1_     3     1.02828    35.51784   168.78042
    4     1 S   H    _H2_     4     1.02785   107.06643   -94.14997
    5     1 S   CT   _CA1     5     1.50114   135.92147   113.59202
    6     5 S   HC   _HA1     6     1.09572   105.19425    89.90449
    7     5 S   CO3  _C1_     7     1.53789   112.47689   -30.33414
    8     7 S   O2Z  _O11     8     1.26373   115.00464   -42.05271
    9     7 S   O2Z  _O12     9     1.26240   114.95221   137.08469
   10     5 S   CT   _CB1    10     1.53078   107.42231  -152.09467
   11    10 S   HC   HB11    11     1.09833   109.38056   -49.57156
   12    10 S   HC   HB12    12     1.09813   110.44084    67.04110
   13    10 S   CT   _CG1    13     1.52990   112.60720  -170.54441
   14    13 S   HC   HG11    14     1.09580   110.63522   -65.65436
   15    13 S   HC   HG12    15     1.09670   109.78397    53.58108
   16    13 S   C    _CD1    16     1.51797   112.22279   174.04682
   17    16 S   O    _OE1    17     1.22730   123.28429     7.15618
   18    16 S   N    _N2_    18     1.38660   111.67552  -172.96781
   19    18 S   H    _HN2    19     1.01579   118.92178     1.83024
   20    18 S   CT1  _CA2    20     1.46197   123.37706   177.48962
   21    20 S   HC   _HA2    21     1.09738   109.38965     2.76152
   22    20 S   C    _C2_    22     1.53566   108.53032  -112.72243
   23    22 S   O    _O2_    23     1.23060   122.28665  -147.32175
   24    20 S   CT   _CB2    32     1.53452   111.70065   124.79489
   25    24 S   HC   HB21    33     1.09532   109.68260    56.02260
   26    24 S   HC   HB22    34     1.09372   109.70670   174.77970
   27    22 S   N    _N3_    24     1.38328   113.70159    40.04212
   28    27 S   H    _HN3    25     1.01585   119.60527    -3.19653
   29    24 S   S    _SG2    35     1.83084   111.24228   -64.15847
   30    27 S   CT   _CA3    26     1.45290   123.21068   177.18450
   31    30 S   HC   HA31    27     1.09549   107.49459   -64.93816
   32    30 S   HC   HA32    28     1.09556   108.00052    51.50029
   33    29 S   CT   _C16    36     1.86728   102.32386  -163.65361
   34    30 S   CO3  _C3_    29     1.52963   114.08723   173.50768
   35    34 S   O2Z  _O31    30     1.26376   116.07479    -0.77430
   36    34 S   O2Z  _O32    31     1.26430   114.41176   179.29141
   37    33 S   CO4  _C11    37     1.53494   109.23797    63.48176
   38    37 S   O    _O20    38     1.22880   123.11792    23.40478
   39    33 S   CT   _C21    56     1.57098   109.26387  -178.68107
   40    39 S   HC   _H42    57     1.09727   108.99831  -177.17763
   41    37 S   CA   _C7_    39     1.49558   117.73012  -160.38134
   42    39 S   CT   _C20    58     1.54299   115.33771    61.78182
   43    42 S   HC   _H40    59     1.09475   110.73804    51.31087
   44    42 S   HC   _H41    60     1.09328   111.08244   -66.77986
   45    39 S   OS   _O24    72     1.45632   108.90895   -58.16979
   46    41 S   CA   _C6_    40     1.40680   120.35570    11.21226
   47    42 S   CM   _C12    61     1.50838   111.29339   169.72314
   48    47 S   HC   _H28    62     1.08966   114.05280   -76.61061
   49    45 S   CO4  _C14    73     1.36170   118.58468  -108.75724
   50    49 S   O    _O21    74     1.22294   126.56129     0.89896
   51    46 S   CA   _C8_    41     1.40471   119.65158  -177.26863
   52    46 S   CO4  _C10    51     1.48522   119.78427     3.75202
   53    52 S   O    _O19    52     1.22630   121.27384  -168.47792
   54    47 S   CM   _C13    63     1.34671   127.82377   104.07320
   55    49 S   CT   _C19    75     1.49800   109.37729  -179.43768
   56    55 S   HC   _H37    76     1.09290   109.78867   -61.71686
   57    55 S   HC   _H38    77     1.09374   109.36659   179.19109
   58    55 S   HC   _H39    78     1.09295   109.82978    60.18470
   59    51 S   CA   _C4_    42     1.39364   120.66362    -0.70997
   60    59 S   HA   _H26    43     1.08681   120.43424  -179.76930
   61    51 S   OH   _O22    49     1.36913   123.54862   179.87180
   62    61 S   HO   _H43    50     0.97372   109.10007    -3.01220
   63    33 S   CT   _C15    53     1.53050   109.16476   -54.73034
   64    63 S   HC   _H29    54     1.09643   112.64643    58.99466
   65    63 S   HC   _H30    55     1.09502   111.90454   -61.70428
   66    54 S   CT   _C17    64     1.50554   120.45044   178.88478
   67    66 S   HC   _H31    65     1.09497   110.26708   119.13624
   68    66 S   HC   _H32    66     1.09496   110.21237  -121.04220
   69    66 S   HC   _H33    67     1.09511   112.41472    -0.97939
   70    54 S   CT   _C18    68     1.50284   125.17376    -1.92895
   71    70 S   HC   _H34    69     1.09482   110.08695   115.21167
   72    70 S   HC   _H35    70     1.09207   113.59776    -5.84583
   73    70 S   HC   _H36    71     1.09543   110.01429  -125.49403
   74    59 S   CA   _C5_    44     1.39053   119.87407     0.09279
   75    74 S   HA   _H27    45     1.08695   119.63600   180.00000
   76    41 S   CA   _C9_    46     1.40599   120.66953  -166.89628
   77    76 S   OH   _O23    47     1.36954   123.68466    -1.66601
   78    77 S   HO   _H44    48     0.97365   109.01795    -1.44157
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  15   5  16   7  12  10   5   4   8  13  10   3
   5   4  10   7   3   8   3   2   1   1   7   4   2   1   2   1
   1   7   3   2   1   3   2   1   1   4   2   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    63    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    63    64    65    39    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    76    52    53    63    64    65    39    40    42    43    44    47    45    49  
   35    36  
   36  
    0  
   38    41    46    51    74    76    77    52    63    64    65    39    40    42    45  
   41    46    76    63    39  
   40    42    43    44    47    48    54    45    49    50    55    41    52    63    64    65  
   42    43    44    47    45    49    63  
   46    51    59    74    75    76    77    78    61    52    53    63  
   43    44    47    48    54    66    70    45    49    63  
   44    47    48    54    45  
   47    48    54    45  
   49    50    55    56    57    58    47    63  
   51    59    60    74    76    77    61    62    52    53    63    64    65  
   48    54    66    67    68    69    70    71    72    73  
   54    66    70  
   50    55    56    57    58  
   55    56    57    58  
   59    60    74    75    76    61    62    52    53    63  
   53    63    64    65    59    61    76  
   63    64    65  
   66    67    68    69    70    71    72    73  
   56    57    58  
   57    58  
   58  
    0  
   60    74    75    76    77    61    62  
   74    75    76    61  
   62    74  
    0  
   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  
   76    77  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    63   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    76   469.000  1.400
   46    51   469.000  1.400
   46    52   310.000  1.470
   51    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   59    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   61    62   553.000  0.945
   52    53   570.000  1.229
   52    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    54   549.000  1.340
   54    66   317.000  1.510
   54    70   317.000  1.510
   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
   45    49   214.000  1.327
   49    50   570.000  1.229
   49    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  110.18000
   29    33    63    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    63    52    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    65    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   37    41    46    60.00000  119.52600
   37    41    76    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    51    63.00000  120.00000
   41    46    52    60.00000  119.52600
   41    76    74    63.00000  120.00000
   41    76    77    70.00000  120.00000
   46    51    59    63.00000  120.00000
   46    51    61    70.00000  120.00000
   46    52    53    75.00000  123.78400
   46    52    63    65.00000  115.47100
   51    59    60    35.00000  120.00000
   51    59    74    63.00000  120.00000
   51    61    62    35.00000  113.00000
   59    74    75    35.00000  120.00000
   59    74    76    63.00000  120.00000
   74    59    60    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    41    46    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   61    51    59    70.00000  120.00000
   52    46    51    60.00000  119.52600
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   63    33    37    63.00000  111.10000
   63    52    53    80.00000  120.40000
   65    63    64    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    63    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    47    70.00000  112.02700
   39    45    49    83.00000  116.90000
   42    39    40    37.50000  110.70000
   42    47    48    35.00000  117.00000
   42    47    54    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    54    66    70.00000  124.00000
   47    54    70    70.00000  124.00000
   54    47    48    35.00000  120.00000
   54    66    67    35.00000  109.50000
   54    66    68    35.00000  109.50000
   54    66    69    35.00000  109.50000
   54    70    71    35.00000  109.50000
   54    70    72    35.00000  109.50000
   54    70    73    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    54    66    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    42    50.00000  109.50000
   45    49    50    83.00000  123.40000
   45    49    55    81.00000  111.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   55    49    50    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    63    52   0.56750  1.0 1.0
   29    33    63    52  -0.07550 -1.0 2.0
   29    33    63    52   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    65   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    46   2.26350  1.0 1.0
   33    37    41    46   0.76750 -1.0 2.0
   33    37    41    46   0.22500  1.0 3.0
   33    37    41    76   2.26350  1.0 1.0
   33    37    41    76   0.76750 -1.0 2.0
   33    37    41    76   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    47   0.34400  1.0 1.0
   33    39    42    47   0.09450 -1.0 2.0
   33    39    42    47   0.11100  1.0 3.0
   33    39    45    49  -0.25900  1.0 1.0
   33    39    45    49  -0.47000 -1.0 2.0
   33    39    45    49   0.11750  1.0 3.0
   37    33    63    52   0.11950  1.0 1.0
   37    33    63    52   0.20300 -1.0 2.0
   37    33    63    52  -0.70800  1.0 3.0
   37    33    63    64  -0.11250  1.0 3.0
   37    33    63    65  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    41    46    51   3.62500 -1.0 2.0
   37    41   -46    52   3.62500 -1.0 2.0
   37    41    76    74   3.62500 -1.0 2.0
   37    41    76    77   3.62500 -1.0 2.0
   38    37    41    46   1.05000 -1.0 2.0
   38    37    41    76   1.05000 -1.0 2.0
   41    46    51    59   3.62500 -1.0 2.0
   41    46    51    61   3.62500 -1.0 2.0
   41    46    52    53   1.05000 -1.0 2.0
   41    46    52    63   2.26350  1.0 1.0
   41    46    52    63   0.76750 -1.0 2.0
   41    46    52    63   0.22500  1.0 3.0
   41    76    77    78   0.84100 -1.0 2.0
   46    41    76    74   3.62500 -1.0 2.0
   46    41    76    77   3.62500 -1.0 2.0
   46    51    59    60   3.62500 -1.0 2.0
   46    51   -59    74   3.62500 -1.0 2.0
   46    51    61    62   0.84100 -1.0 2.0
   46    52   -63    33   0.05850 -1.0 2.0
   46    52   -63    33   0.17250  1.0 3.0
   46    52    63    64   0.00000  1.0 1.0
   46    52    63    65   0.00000  1.0 1.0
   51    46    52    53   1.05000 -1.0 2.0
   51    46    52    63   2.26350  1.0 1.0
   51    46    52    63   0.76750 -1.0 2.0
   51    46    52    63   0.22500  1.0 3.0
   51    59    74    75   3.62500 -1.0 2.0
   51    59    74    76   3.62500 -1.0 2.0
   59    51    61    62   0.84100 -1.0 2.0
   59    74   -76    41   3.62500 -1.0 2.0
   59    74    76    77   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    78   0.84100 -1.0 2.0
   75    74    76    41   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    41   -46    51   3.62500 -1.0 2.0
   76    41    46    52   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   61    51    59    74   3.62500 -1.0 2.0
   52    46    51    59   3.62500 -1.0 2.0
   52    46    51    61   3.62500 -1.0 2.0
   53    52    63    33   0.30150 -1.0 2.0
   53    52    63    64   0.00000  1.0 1.0
   53    52    63    65   0.00000  1.0 1.0
   63    33    37    38   0.30150 -1.0 2.0
   63    33   -37    41   0.05850 -1.0 2.0
   63    33   -37    41   0.17250  1.0 3.0
   63    33    39    40   0.15000  1.0 3.0
   63    33    39    42   0.56750  1.0 1.0
   63    33    39    42  -0.07550 -1.0 2.0
   63    33    39    42   0.20000  1.0 3.0
   63    33    39    45   0.62750  1.0 1.0
   63    33    39    45  -0.30950 -1.0 2.0
   63    33    39    45   0.27300  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    63    52  -0.95700  1.0 1.0
   39    33    63    52  -0.18200 -1.0 2.0
   39    33    63    52   0.29450  1.0 3.0
   39    33    63    64   0.15000  1.0 3.0
   39    33    63    65   0.15000  1.0 3.0
   39    42    47    48   0.00000  1.0 1.0
   39    42    47    54   0.09850  1.0 1.0
   39    42    47    54   0.15250 -1.0 2.0
   39    42    47    54  -0.50650  1.0 3.0
   39    45    49    50   3.00000 -1.0 2.0
   39    45    49    55   1.63150  1.0 1.0
   39    45    49    55   2.92000 -1.0 2.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   40    39    45    49   0.08050  1.0 3.0
   42    39    45    49  -0.25900  1.0 1.0
   42    39    45    49  -0.47000 -1.0 2.0
   42    39    45    49   0.11750  1.0 3.0
   42    47    54    66   7.00000 -1.0 2.0
   42    47    54    70   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    54   0.00000  1.0 1.0
   47    54    66    67   0.00000  1.0 1.0
   47    54    66    68   0.00000  1.0 1.0
   47    54    66    69   0.00000  1.0 1.0
   47    54    70    71   0.00000  1.0 1.0
   47    54    70    72   0.00000  1.0 1.0
   47    54    70    73   0.00000  1.0 1.0
   48    47    54    66   7.00000 -1.0 2.0
   48    47    54    70   7.00000 -1.0 2.0
   66    54    70    71   0.34800  1.0 3.0
   66    54    70    72   0.34800  1.0 3.0
   66    54    70    73   0.34800  1.0 3.0
   70    54    66    67   0.34800  1.0 3.0
   70    54    66    68   0.34800  1.0 3.0
   70    54    66    69   0.34800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  1.0 3.0
   45    39    42    47   0.61850  1.0 1.0
   45    39    42    47  -0.22750 -1.0 2.0
   45    39    42    47   0.15300  1.0 3.0
   45    49    55    56   0.00000  1.0 1.0
   45    49    55    57   0.00000  1.0 1.0
   45    49    55    58   0.00000  1.0 1.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.00000  1.0 1.0
   50    49    55    58   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    76    41    37   4.00000 -1.0 2.0
   51    52    46    41   4.00000 -1.0 2.0
   59    61    51    46   4.00000 -1.0 2.0
   74    60    59    51   1.10000 -1.0 2.0
   76    75    74    59   1.10000 -1.0 2.0
   74    77    76    41   4.00000 -1.0 2.0
   46    63    52    53  10.50000 -1.0 2.0
   42    48    47    54  15.00000 -1.0 2.0
   66    70    54    47  15.00000 -1.0 2.0
   45    55    49    50  10.50000 -1.0 2.0
END
