* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.60652    93.08365   -20.56317
    2     1 S   H    _HN1     2     1.02930    93.61090    34.13794
    3     1 S   H    _H1_     3     1.02830    27.36014   155.33553
    4     1 S   H    _H2_     4     1.02772    90.67013   -74.39829
    5     1 S   CT   _CA1     5     1.50130   137.97432   160.28806
    6     5 S   HC   _HA1     6     1.09566   105.24543    56.67310
    7     5 S   CO3  _C1_     7     1.53801   112.31103   -63.61385
    8     7 S   O2Z  _O11     8     1.26367   114.97366   -42.51136
    9     7 S   O2Z  _O12     9     1.26231   114.95427   136.53357
   10     5 S   CT   _CB1    10     1.53027   107.38933   174.70968
   11    10 S   HC   HB11    11     1.09820   109.47843   -49.01028
   12    10 S   HC   HB12    12     1.09740   110.33680    67.63213
   13    10 S   CT   _CG1    13     1.52979   112.74363  -170.24003
   14    13 S   HC   HG11    14     1.09590   110.40433   -62.36797
   15    13 S   HC   HG12    15     1.09636   110.11976    56.96367
   16    13 S   C    _CD1    16     1.51775   112.07204   177.24587
   17    16 S   O    _OE1    17     1.22737   123.20887    -5.52375
   18    16 S   N    _N2_    18     1.38671   111.73122   174.65449
   19    18 S   H    _HN2    19     1.01585   119.10771     2.03682
   20    18 S   CT1  _CA2    20     1.46220   123.15492  -178.35123
   21    20 S   HC   _HA2    21     1.09747   109.22472    -9.34086
   22    20 S   C    _C2_    22     1.53342   108.62457  -124.94543
   23    22 S   O    _O2_    23     1.23033   122.36273  -148.24347
   24    20 S   CT   _CB2    32     1.53570   111.73752   112.36758
   25    24 S   HC   HB21    33     1.09536   109.87731    59.37369
   26    24 S   HC   HB22    34     1.09390   109.70141   178.28559
   27    22 S   N    _N3_    24     1.38362   113.48185    39.24073
   28    27 S   H    _HN3    25     1.01648   119.48560    -3.64486
   29    24 S   S    _SG2    35     1.82659   111.16102   -61.33401
   30    27 S   CT   _CA3    26     1.45287   123.10036   176.90991
   31    30 S   HC   HA31    27     1.09554   107.53383   -63.43346
   32    30 S   HC   HA32    28     1.09559   107.92714    52.95805
   33    29 S   CT   _C20    36     1.85325   101.12582  -179.29446
   34    30 S   CO3  _C3_    29     1.52927   114.16782   174.93380
   35    34 S   O2Z  _O31    30     1.26360   116.06690    -0.88955
   36    34 S   O2Z  _O32    31     1.26432   114.40699   179.17031
   37    33 S   CO4  _C19    37     1.52715   104.94811  -166.52150
   38    37 S   O    _O36    38     1.23552   120.23852    85.82521
   39    33 S   CT   _C21    71     1.53054   113.39711    72.13257
   40    39 S   HC   _H4_    72     1.09875   108.53535   -59.48352
   41    33 S   OH   _O39    78     1.42240   109.30485   -50.54995
   42    41 S   HO   _H16    79     0.97308   106.54996   -51.92558
   43    37 S   CT   _C17    39     1.53948   118.69349   -96.04728
   44    43 S   HC   _H3_    40     1.10293   102.62089   -98.43693
   45    39 S   C    _C23    73     1.52952   114.21258  -176.07924
   46    45 S   O    _O38    74     1.22745   124.34163    -8.44171
   47    43 S   CT   _C18    41     1.53908   110.30585   148.29600
   48    47 S   HC   _H12    42     1.09710   110.96478   167.62229
   49    47 S   HC   _H13    43     1.09474   107.66058    51.05087
   50    45 S   N    _N4_    75     1.37748   113.09786   170.72352
   51    50 S   H    _H14    76     1.01498   122.44154     2.30291
   52    50 S   H    _H15    77     1.01380   120.41459  -179.95577
   53    47 S   CA   _C6_    44     1.51244   111.29382   -71.25230
   54    53 S   CA   _C7_    45     1.39347   118.45024   -39.87908
   55    54 S   CA   _C8_    46     1.40361   119.65620   178.52488
   56    54 S   CO4  _C15    65     1.49569   119.08514    -2.69028
   57    56 S   O    _O35    66     1.23238   117.94097  -154.95774
   58    55 S   CA   _C9_    47     1.42522   122.49779    -2.90636
   59    55 S   OH   _O34    63     1.37788   119.71038   179.40686
   60    59 S   HO   _H11    64     0.97270   109.91019    -6.94026
   61    43 S   CT   _C16    67     1.54433   115.19351    20.83686
   62    61 S   OM   _O40    68     1.32385   108.06640  -150.55100
   63    58 S   CA   _C10    48     1.42995   118.80987     1.67491
   64    61 S   CO4  _C22    69     1.54294   114.20363   -34.68613
   65    64 S   O    _O37    70     1.23568   123.02067  -178.99907
   66    53 S   CA   _C5_    49     1.42108   122.18325   141.81070
   67    63 S   CA   _C11    54     1.44269   116.09740  -174.54515
   68    67 S   Cl   Cl1_    55     1.74003   124.07907   169.48859
   69    66 S   CT   _C4_    50     1.51549   117.33703    10.80239
   70    69 S   HC   _H5_    51     1.09339   110.81154   -95.07969
   71    69 S   HC   _H6_    52     1.09480   112.03031    26.34086
   72    69 S   HC   _H7_    53     1.09358   110.97840   140.66704
   73    67 S   CA   _C12    56     1.40038   122.84899    -5.33921
   74    73 S   HA   _H8_    57     1.08771   120.96090  -179.62361
   75    73 S   CA   _C13    58     1.37691   120.11372     1.61192
   76    75 S   HA   _H9_    59     1.08566   119.56297  -179.78786
   77    58 S   CA   _C14    60     1.42890   122.46091  -178.27762
   78    77 S   OH   _O33    61     1.37568   120.39508    -2.20726
   79    78 S   HO   _H10    62     0.97124   109.75189   179.13159
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  16   6  14   7   4   1  13   8   7   4  12   5
   4   3   1   1  14  13  12   8   3  13   3   1   3   2  12   1
   1   8   7   3   3   2   1   1   5   3   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    64    39    40    45    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    61    64    65    39    40    45    46    50    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    49    53    56    61    62    64    39    40    45    41    42  
   43    44    47    61    39    41  
   40    45    46    50    51    52    41    42    43    56    61    62    64    65  
   45    46    50    41    61    64    65  
   42    43    45    64  
    0  
   44    47    48    49    53    54    66    56    57    61    62    64    65  
   47    48    49    53    56    61    62    64  
   46    50    51    52    61    64    65  
   50    51    52    64  
   48    49    53    54    55    63    66    69    56    61    62    64  
   49    53    54    66    61  
   53    54    66    61  
   51    52    64  
   52  
    0  
   54    55    58    63    66    69    70    71    72    67    59    56    57    61  
   55    58    63    66    69    77    59    60    56    57    61    62    64  
   58    63    66    67    75    77    78    59    60    56    57    61  
   57    61    62    64    65    58    59    66  
   61    62    64  
   63    66    69    67    68    73    75    76    77    78    79    59    60  
   60    63    77  
    0  
   62    64    65  
   64    65  
   66    69    70    71    72    67    68    73    74    75    77    78  
   65  
    0  
   69    70    71    72    67    68    73    77  
   68    73    74    75    76    77    69  
   73    74    75  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   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   0.470000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    61   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.510
   53    54   469.000  1.400
   53    66   469.000  1.400
   54    55   469.000  1.400
   54    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    63   469.000  1.400
   58    77   469.000  1.400
   63    66   469.000  1.400
   63    67   469.000  1.400
   66    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   67    68   300.000  1.725
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   59    60   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   570.000  1.307
   61    64   317.000  1.522
   64    65   570.000  1.229
   64    39   317.000  1.522
   39    40   340.000  1.090
   39    45   317.000  1.522
   45    46   570.000  1.229
   45    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    64    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    63.00000  111.10000
   33    41    42    55.00000  108.50000
   37    43    44    35.00000  109.50000
   37    43    47    63.00000  111.10000
   37    43    61    63.00000  111.10000
   43    37    38    80.00000  120.40000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    53    70.00000  112.17500
   43    61    56    63.00000  111.10000
   43    61    62    50.00000  109.50000
   43    61    64    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    53    54    70.00000  120.00000
   47    53    66    70.00000  120.00000
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    56    60.00000  119.52600
   53    66    63    63.00000  120.00000
   53    66    69    70.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    61    65.00000  115.47100
   55    58    63    63.00000  120.00000
   55    58    77    63.00000  120.00000
   55    59    60    35.00000  113.00000
   58    63    66    63.00000  120.00000
   58    63    67    63.00000  120.00000
   58    77    75    63.00000  120.00000
   58    77    78    70.00000  120.00000
   63    66    69    70.00000  120.00000
   63    67    68    75.00000  120.00000
   63    67    73    63.00000  120.00000
   66    53    54    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   67    63    66    63.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    75    63.00000  120.00000
   73    67    68    75.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    58    63    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   59    55    58    70.00000  120.00000
   56    54    55    60.00000  119.52600
   56    61    62    90.00000  108.74100
   56    61    64    75.00000  107.99600
   61    43    44    37.50000  110.70000
   61    43    47    58.35000  112.70000
   61    56    57    80.00000  120.40000
   61    64    65    80.00000  120.40000
   61    64    39    70.00000  116.00000
   64    61    62    90.00000  108.74100
   64    39    40    35.00000  109.50000
   64    39    45    70.00000  107.85200
   39    33    37    63.00000  111.10000
   39    64    65    80.00000  120.40000
   39    45    46    80.00000  120.40000
   39    45    50    70.00000  116.60000
   45    39    40    35.00000  109.50000
   45    50    51    35.00000  119.80000
   45    50    52    35.00000  119.80000
   50    45    46    80.00000  122.90000
   52    50    51    35.00000  120.00000
   41    33    37    90.00000  109.61100
   41    33    39    50.00000  109.50000
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    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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    64   0.56750  1.0 1.0
   29    33    39    64  -0.07550 -1.0 2.0
   29    33    39    64   0.20000  1.0 3.0
   29    33    39    40   0.15000  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
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    47   0.60050  1.0 1.0
   33    37    43    47   0.05600 -1.0 2.0
   33    37    43    47   0.26150  1.0 3.0
   33    37    43    61   0.60050  1.0 1.0
   33    37    43    61   0.05600 -1.0 2.0
   33    37    43    61   0.26150  1.0 3.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    50   1.39750  1.0 1.0
   33    39    45    50  -0.07950 -1.0 2.0
   33    39    45    50  -0.18750  1.0 3.0
   37    33    39    64   0.11950  1.0 1.0
   37    33    39    64   0.20300 -1.0 2.0
   37    33    39    64  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45   0.11950  1.0 1.0
   37    33    39    45   0.20300 -1.0 2.0
   37    33    39    45  -0.70800  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    47    48  -0.11250  1.0 3.0
   37    43    47    49  -0.11250  1.0 3.0
   37    43    47    53   0.56750  1.0 1.0
   37    43    47    53  -0.07550 -1.0 2.0
   37    43    47    53   0.20000  1.0 3.0
   37    43    61    56   0.11950  1.0 1.0
   37    43    61    56   0.20300 -1.0 2.0
   37    43    61    56  -0.70800  1.0 3.0
   37    43    61    62  -0.09450  1.0 1.0
   37    43    61    62  -1.12950 -1.0 2.0
   37    43    61    62   0.54000  1.0 3.0
   37    43   -61    64   0.11950  1.0 1.0
   37    43   -61    64   0.20300 -1.0 2.0
   37    43   -61    64  -0.70800  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.30150 -1.0 2.0
   38    37    43    61   0.30150 -1.0 2.0
   43    47    53    54   0.04150 -1.0 2.0
   43    47    53    66   0.04150 -1.0 2.0
   43    61    64    65   0.30150 -1.0 2.0
   43    61    64    39   0.60050  1.0 1.0
   43    61    64    39   0.05600 -1.0 2.0
   43    61    64    39   0.26150  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    53   0.43200  1.0 3.0
   44    43    61    56  -0.11250  1.0 3.0
   44    43    61    62   0.23400  1.0 3.0
   44    43    61    64  -0.11250  1.0 3.0
   47    43    61    56  -0.95700  1.0 1.0
   47    43    61    56  -0.18200 -1.0 2.0
   47    43    61    56   0.29450  1.0 3.0
   47    43    61    62   0.62750  1.0 1.0
   47    43    61    62  -0.30950 -1.0 2.0
   47    43    61    62   0.27300  1.0 3.0
   47    43    61    64  -0.95700  1.0 1.0
   47    43    61    64  -0.18200 -1.0 2.0
   47    43    61    64   0.29450  1.0 3.0
   47    53    54    55   3.62500 -1.0 2.0
   47    53   -54    56   3.62500 -1.0 2.0
   47    53    66    63   3.62500 -1.0 2.0
   47    53    66    69   3.62500 -1.0 2.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    66   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
   49    47    53    66   0.00000  1.0 1.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    61   2.26350  1.0 1.0
   53    54    56    61   0.76750 -1.0 2.0
   53    54    56    61   0.22500  1.0 3.0
   53    66    69    70   0.00000  1.0 1.0
   53    66    69    71   0.00000  1.0 1.0
   53    66    69    72   0.00000  1.0 1.0
   54    53    66    63   3.62500 -1.0 2.0
   54    53    66    69   3.62500 -1.0 2.0
   54    55   -58    63   3.62500 -1.0 2.0
   54    55    58    77   3.62500 -1.0 2.0
   54    55    59    60   0.84100 -1.0 2.0
   54    56   -61    43   0.05850 -1.0 2.0
   54    56   -61    43   0.17250  1.0 3.0
   54    56    61    62   0.65300  1.0 1.0
   54    56    61    62  -0.03850 -1.0 2.0
   54    56    61    62   0.33900  1.0 3.0
   54    56    61    64   0.65300  1.0 1.0
   54    56    61    64  -0.03850 -1.0 2.0
   54    56    61    64   0.33900  1.0 3.0
   55    54    56    57   1.05000 -1.0 2.0
   55    54    56    61   2.26350  1.0 1.0
   55    54    56    61   0.76750 -1.0 2.0
   55    54    56    61   0.22500  1.0 3.0
   55    58    63    66   3.62500 -1.0 2.0
   55    58    63    67   3.62500 -1.0 2.0
   55    58    77    75   3.62500 -1.0 2.0
   55    58    77    78   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    63   -66    53   3.62500 -1.0 2.0
   58    63    66    69   3.62500 -1.0 2.0
   58    63    67    68   3.62500 -1.0 2.0
   58    63    67    73   3.62500 -1.0 2.0
   58    77    78    79   0.84100 -1.0 2.0
   63    58    77    75   3.62500 -1.0 2.0
   63    58    77    78   3.62500 -1.0 2.0
   63    66    69    70   0.00000  1.0 1.0
   63    66    69    71   0.00000  1.0 1.0
   63    66    69    72   0.00000  1.0 1.0
   63    67    73    74   3.62500 -1.0 2.0
   63    67   -73    75   3.62500 -1.0 2.0
   66    53   -54    55   3.62500 -1.0 2.0
   66    53    54    56   3.62500 -1.0 2.0
   66    63    67    68   3.62500 -1.0 2.0
   66    63    67    73   3.62500 -1.0 2.0
   67    63    66    53   3.62500 -1.0 2.0
   67    63    66    69   3.62500 -1.0 2.0
   67    73    75    76   3.62500 -1.0 2.0
   67    73    75    77   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    75   3.62500 -1.0 2.0
   73    75   -77    58   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    58   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    58    63    66   3.62500 -1.0 2.0
   77    58   -63    67   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   59    55    58    77   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    61    64    65   0.30150 -1.0 2.0
   56    61    64    39   0.65300  1.0 1.0
   56    61    64    39  -0.03850 -1.0 2.0
   56    61    64    39   0.33900  1.0 3.0
   57    56    61    43   0.30150 -1.0 2.0
   57    56    61    62   0.30150 -1.0 2.0
   57    56    61    64   0.30150 -1.0 2.0
   61    43    47    48   0.15000  1.0 3.0
   61    43    47    49   0.15000  1.0 3.0
   61    43   -47    53  -0.03700  1.0 1.0
   61    43   -47    53   0.37200 -1.0 2.0
   61    43   -47    53  -0.47300  1.0 3.0
   61    64   -39    33   0.60050  1.0 1.0
   61    64   -39    33   0.05600 -1.0 2.0
   61    64   -39    33   0.26150  1.0 3.0
   61    64    39    40   0.00000  1.0 1.0
   61    64    39    45   0.65300  1.0 1.0
   61    64    39    45  -0.03850 -1.0 2.0
   61    64    39    45   0.33900  1.0 3.0
   62    61    64    65   0.30150 -1.0 2.0
   62    61    64    39   0.55300  1.0 1.0
   62    61    64    39   1.25850 -1.0 2.0
   62    61    64    39  -0.23600  1.0 3.0
   64    39    45    46   0.30150 -1.0 2.0
   64    39    45    50   0.00000  1.0 1.0
   65    64    39    33   0.30150 -1.0 2.0
   65    64    39    40   0.00000  1.0 1.0
   65    64    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    45    50    51   2.45000 -1.0 2.0
   39    45    50    52   2.45000 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    50   0.00000  1.0 1.0
   46    45    50    51   2.45000 -1.0 2.0
   46    45    50    52   2.45000 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.55300  1.0 1.0
   41    33    37    43   1.25850 -1.0 2.0
   41    33    37    43  -0.23600  1.0 3.0
   41    33    39    64  -0.09450  1.0 1.0
   41    33    39    64  -1.12950 -1.0 2.0
   41    33    39    64   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    45  -0.09450  1.0 1.0
   41    33    39    45  -1.12950 -1.0 2.0
   41    33    39    45   0.54000  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
   33    43    37    38  10.50000 -1.0 2.0
   54    66    53    47   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   63    77    58    55   4.00000 -1.0 2.0
   66    67    63    58   4.00000 -1.0 2.0
   63    69    66    53   4.00000 -1.0 2.0
   73    68    67    63   4.00000 -1.0 2.0
   75    74    73    67   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    58   4.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   61    39    64    65  10.50000 -1.0 2.0
   39    50    45    46  10.50000 -1.0 2.0
   52    45    50    51   1.00000 -1.0 2.0
END
