* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    150    234     438
    1     0 S   NP   _N1_     1    28.00989    97.45086   -23.56964
    2     1 S   H    _HN1     2     1.02776   107.56219  -106.33894
    3     1 S   H    _H1_     3     1.02957    72.72625    -2.02796
    4     1 S   H    _H2_     4     1.02835    36.57605   157.09709
    5     1 S   CT   _CA1     5     1.50129   135.96217    99.69960
    6     5 S   HC   _HA1     6     1.09574   105.21711    91.65217
    7     5 S   CO3  _C1_     7     1.53788   112.36660   -28.54438
    8     7 S   O2Z  _O11     8     1.26366   114.99685   -43.82007
    9     7 S   O2Z  _O12     9     1.26236   114.93331   135.28473
   10     5 S   CT   _CB1    10     1.53095   107.42134  -150.43212
   11    10 S   HC   HB11    11     1.09827   109.33990   -50.46128
   12    10 S   HC   HB12    12     1.09816   110.42427    66.09826
   13    10 S   CT   _CG1    13     1.53015   112.66786  -171.52912
   14    13 S   HC   HG11    14     1.09595   110.49117   -64.29066
   15    13 S   HC   HG12    15     1.09656   109.91974    54.91044
   16    13 S   C    _CD1    16     1.51839   112.31829   175.28420
   17    16 S   O    _OE1    17     1.22750   123.29336     0.26980
   18    16 S   N    _N2_    18     1.38555   111.69656  -179.71676
   19    18 S   H    _HN2    19     1.01554   119.04695     4.41810
   20    18 S   CT1  _CA2    20     1.45850   122.89769   178.11778
   21    20 S   HC   _HA2    21     1.09722   108.92415    24.47974
   22    20 S   C    _C2_    22     1.52908   106.90865   -92.67590
   23    22 S   O    _O2_    23     1.22993   122.99515   -28.02367
   24    20 S   CT   _CB2    32     1.53170   112.18599   147.67286
   25    24 S   HC   HB21    33     1.09505   110.09341    55.15736
   26    24 S   HC   HB22    34     1.09532   110.17734   173.99462
   27    22 S   N    _N3_    24     1.38491   112.63794   154.74531
   28    27 S   H    _HN3    25     1.01662   120.38159    -2.18014
   29    24 S   S    _SG2    35     1.82575   111.15800   -66.06295
   30    27 S   CT   _CA3    26     1.45356   122.39750   178.60731
   31    30 S   HC   HA31    27     1.09571   107.71211   -57.21917
   32    30 S   HC   HA32    28     1.09564   107.68144    59.07606
   33    29 S   CT   _C19    36     1.85858    99.43759   178.71564
   34    33 S   HC   _H4_    37     1.09927   107.43221    33.34384
   35    30 S   CO3  _C3_    29     1.52871   114.40948  -179.15651
   36    35 S   O2Z  _O31    30     1.26319   116.09363    -2.52336
   37    35 S   O2Z  _O32    31     1.26444   114.39624   177.49243
   38    33 S   CT   _C18    38     1.53204   107.20034   -83.28626
   39    38 S   HC   _H22    39     1.09612   110.98389    59.17902
   40    38 S   HC   _H23    40     1.09797   110.82700   -59.56861
   41    38 S   CT   _C17    41     1.51820   110.35385   179.11067
   42    41 S   HC   _H20    42     1.09720   109.48359  -178.23409
   43    41 S   HC   _H21    43     1.09659   109.02520   -62.35329
   44    41 S   CT   _C16    44     1.52981   110.17102    61.26923
   45    44 S   HC   _H3_    45     1.10059   106.55444    67.99655
   46    44 S   CT   _C12    46     1.55362   115.26007   -55.94346
   47    44 S   NT   _N4_    58     1.48408   110.14720  -171.59835
   48    46 S   CA   _C8_    47     1.56184   106.02796   171.21072
   49    47 S   CT   _C14    59     1.47888   105.24966    81.87238
   50    49 S   HC   _H16    60     1.09648   109.13878   -95.58294
   51    49 S   HC   _H17    61     1.09641   113.09576   146.56720
   52    33 S   CT   _C20    75     1.57176   111.01367   153.86021
   53    52 S   OM   _O35    76     1.33049   106.44121   -71.75435
   54    52 S   HC   _H5_    77     1.10264   104.86378    55.66825
   55    48 S   CA   _C9_    48     1.40393   123.78718  -147.54996
   56    55 S   HA   _H10    49     1.08226   119.26202     1.57719
   57    46 S   CT   _C13    62     1.55241   100.42501   -77.15887
   58    57 S   HC   _H14    63     1.09643   112.59952  -149.63120
   59    57 S   HC   _H15    64     1.09650   111.62905    89.08797
   60    55 S   CA   _C10    50     1.40377   121.47265  -178.41699
   61    60 S   CA   _C5_    51     1.40487   119.86710    -0.02798
   62    60 S   OS   _O34    70     1.37497   124.47748   180.00000
   63    61 S   CA   _C6_    52     1.39611   119.34439    -0.12195
   64    63 S   HA   _H9_    53     1.08614   121.33380  -179.34958
   65    61 S   OS   _O33    65     1.37329   115.99968  -179.90309
   66    62 S   CT   _C11    71     1.42227   117.46109    -0.39713
   67    66 S   HC   _H11    72     1.09431   107.70828  -179.76593
   68    66 S   HC   _H12    73     1.09495   111.15357    62.58930
   69    66 S   HC   _H13    74     1.09496   111.16917   -62.11253
   70    48 S   CA   _C7_    54     1.41277   118.21944    34.08513
   71    65 S   CT   _C4_    66     1.42208   117.36102  -179.58788
   72    71 S   HC   _H6_    67     1.09431   107.73500   179.57525
   73    71 S   HC   _H7_    68     1.09497   111.16602    61.85936
   74    71 S   HC   _H8_    69     1.09494   111.13133   -62.73489
   75    70 S   CT   _C15    55     1.51446   120.38248    -3.79426
   76    75 S   HC   _H18    56     1.09740   110.00330   132.37935
   77    75 S   HC   _H19    57     1.09797   107.91817  -112.00385
  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
  14   8   2   1   1  12   6   5  11   5   4  18   7  17  13  18
  10   5   4   7   2   1  10   4   4   1   1  11  11   6   7   3
   5   3   2   1   1   3   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    52    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    48    57    52    53    54  
   38    39    40    41    46    52    53    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    52    53    54  
   40    41    42    43    44    52  
   41    42    43    44    52  
   42    43    44    45    46    48    75    47    49    57    52  
   43    44    45    46    47  
   44    45    46    47  
   45    46    48    55    70    75    76    77    47    49    50    51    57    58    59    52    53    54  
   46    48    75    47    49    57    52  
   48    55    56    60    63    70    75    47    49    50    51    57    58    59    52    53    54  
   49    50    51    57    58    59    52    48    63    70    75    76    77  
   55    56    60    61    63    64    70    75    76    77    49    57    58    59    62    52    53    54  
   50    51    57    58    59    52    70    75    76    77  
   51    57    58    59    75  
   57    58    59    75  
   53    54    55    57    58    59    70  
   54    57  
   57  
   56    60    61    63    70    75    57    65    62    66  
   60    61    70    62  
   58    59    70    75  
   59  
    0  
   61    63    64    70    65    71    62    66    67    68    69  
   63    64    70    75    65    71    72    73    74    62    66  
   66    67    68    69    63    65  
   64    70    75    76    77    65    71  
   70    75    65  
   71    72    73    74    70  
   67    68    69  
   68    69  
   69  
    0  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    47   382.000  1.448
   46    48   317.000  1.510
   46    57   268.000  1.529
   46    52   268.000  1.529
   48    55   469.000  1.400
   48    70   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    63   469.000  1.400
   61    65   450.000  1.364
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    47   382.000  1.448
   47    49   382.000  1.448
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   65    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   570.000  1.307
   52    54   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    52    46    58.35000  112.70000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    47    56.20000  109.47000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    48    70.00000  112.17500
   44    46    57    58.35000  112.70000
   44    46    52    58.35000  112.70000
   44    47    75    51.80000  107.20000
   44    47    49    51.80000  107.20000
   46    44    45    37.50000  110.70000
   46    48    55    70.00000  120.00000
   46    48    70    70.00000  120.00000
   46    57    49    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    52    53    50.00000  109.50000
   46    52    54    37.50000  110.70000
   48    55    56    35.00000  120.00000
   48    55    60    63.00000  120.00000
   48    70    63    63.00000  120.00000
   48    70    75    70.00000  120.00000
   55    60    61    63.00000  120.00000
   55    60    62    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    61    65    70.00000  120.00000
   60    62    66    75.00000  111.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    65    71    75.00000  111.00000
   63    70    75    70.00000  120.00000
   70    48    55    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    47    75.00000  112.33000
   75    47    49    51.80000  107.20000
   77    75    76    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    56.20000  109.47000
   47    75    76    35.00000  109.50000
   47    75    77    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    57    56.20000  109.47000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   51    49    50    33.00000  107.80000
   57    46    48    70.00000  112.17500
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    61    63    70.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   62    60    61    70.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    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
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    46    48    70.00000  112.17500
   52    46    57    58.35000  112.70000
   54    52    53    45.00000  125.66300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    46   0.44750  1.0 1.0
   29    33    52    46  -0.17800 -1.0 2.0
   29    33    52    46   0.20200  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    52    46   0.15000  1.0 3.0
   34    33    52    53   0.23400  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   38    33    52    46   0.56750  1.0 1.0
   38    33    52    46  -0.07550 -1.0 2.0
   38    33    52    46   0.20000  1.0 3.0
   38    33    52    53   0.62750  1.0 1.0
   38    33    52    53  -0.30950 -1.0 2.0
   38    33    52    53   0.27300  1.0 3.0
   38    33    52    54   0.15000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    47   1.53400  1.0 1.0
   38    41    44    47  -0.09950 -1.0 2.0
   38    41    44    47   0.05700  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    48  -0.03700  1.0 1.0
   41    44    46    48   0.37200 -1.0 2.0
   41    44    46    48  -0.47300  1.0 3.0
   41    44    46    57   0.56750  1.0 1.0
   41    44    46    57  -0.07550 -1.0 2.0
   41    44    46    57   0.20000  1.0 3.0
   41    44    46    52   0.56750  1.0 1.0
   41    44    46    52  -0.07550 -1.0 2.0
   41    44    46    52   0.20000  1.0 3.0
   41    44    47    75   0.23450  1.0 1.0
   41    44    47    75   0.02050 -1.0 2.0
   41    44    47    75   0.25250  1.0 3.0
   41    44    47    49   0.23450  1.0 1.0
   41    44    47    49   0.02050 -1.0 2.0
   41    44    47    49   0.25250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    46    48    55   0.04150 -1.0 2.0
   44    46    48    70   0.04150 -1.0 2.0
   44    46   -57    49   0.56750  1.0 1.0
   44    46   -57    49  -0.07550 -1.0 2.0
   44    46   -57    49   0.20000  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   44    46   -52    33   0.56750  1.0 1.0
   44    46   -52    33  -0.07550 -1.0 2.0
   44    46   -52    33   0.20000  1.0 3.0
   44    46    52    53   0.62750  1.0 1.0
   44    46    52    53  -0.30950 -1.0 2.0
   44    46    52    53   0.27300  1.0 3.0
   44    46    52    54   0.15000  1.0 3.0
   44    47    49    50   0.28000  1.0 3.0
   44    47    49    51   0.28000  1.0 3.0
   44    47   -49    57   0.23450  1.0 1.0
   44    47   -49    57   0.02050 -1.0 2.0
   44    47   -49    57   0.25250  1.0 3.0
   45    44    46    48   0.43200  1.0 3.0
   45    44    46    57   0.15000  1.0 3.0
   45    44    46    52   0.15000  1.0 3.0
   45    44    47    75   0.28000  1.0 3.0
   45    44    47    49   0.28000  1.0 3.0
   46    44    47    75   0.23450  1.0 1.0
   46    44    47    75   0.02050 -1.0 2.0
   46    44    47    75   0.25250  1.0 3.0
   46    44   -47    49   0.23450  1.0 1.0
   46    44   -47    49   0.02050 -1.0 2.0
   46    44   -47    49   0.25250  1.0 3.0
   46    48    55    56   3.62500 -1.0 2.0
   46    48    55    60   3.62500 -1.0 2.0
   46    48    70    63   3.62500 -1.0 2.0
   46    48   -70    75   3.62500 -1.0 2.0
   48    46    57    49  -0.03700  1.0 1.0
   48    46    57    49   0.37200 -1.0 2.0
   48    46    57    49  -0.47300  1.0 3.0
   48    46    57    58   0.43200  1.0 3.0
   48    46    57    59   0.43200  1.0 3.0
   48    46    52    33  -0.03700  1.0 1.0
   48    46    52    33   0.37200 -1.0 2.0
   48    46    52    33  -0.47300  1.0 3.0
   48    46    52    53  -0.64350  1.0 1.0
   48    46    52    53  -0.04200 -1.0 2.0
   48    46    52    53   0.19800  1.0 3.0
   48    46    52    54   0.43200  1.0 3.0
   48    55    60    61   3.62500 -1.0 2.0
   48    55    60    62   3.62500 -1.0 2.0
   48    70    75    76   0.00000  1.0 1.0
   48    70    75    77   0.00000  1.0 1.0
   48    70    75    47   0.18550 -1.0 2.0
   48    70    75    47   0.14000  1.0 3.0
   55    48    70    63   3.62500 -1.0 2.0
   55    48    70    75   3.62500 -1.0 2.0
   55    60   -61    63   3.62500 -1.0 2.0
   55    60    61    65   3.62500 -1.0 2.0
   55    60    62    66   1.63200 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    62   3.62500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    65    71   1.63200 -1.0 2.0
   60    62    66    67   0.08050  1.0 3.0
   60    62    66    68   0.08050  1.0 3.0
   60    62    66    69   0.08050  1.0 3.0
   61    60    62    66   1.63200 -1.0 2.0
   61    63   -70    48   3.62500 -1.0 2.0
   61    63    70    75   3.62500 -1.0 2.0
   61    65    71    72   0.08050  1.0 3.0
   61    65    71    73   0.08050  1.0 3.0
   61    65    71    74   0.08050  1.0 3.0
   63    61    65    71   1.63200 -1.0 2.0
   63    70    75    76   0.00000  1.0 1.0
   63    70    75    77   0.00000  1.0 1.0
   63    70    75    47   0.18550 -1.0 2.0
   63    70    75    47   0.14000  1.0 3.0
   64    63    70    48   3.62500 -1.0 2.0
   64    63    70    75   3.62500 -1.0 2.0
   70    48    55    56   3.62500 -1.0 2.0
   70    48   -55    60   3.62500 -1.0 2.0
   70    75   -47    44   0.82600  1.0 1.0
   70    75   -47    44  -0.32100 -1.0 2.0
   70    75   -47    44   1.02000  1.0 3.0
   70    75    47    49   0.82600  1.0 1.0
   70    75    47    49  -0.32100 -1.0 2.0
   70    75    47    49   1.02000  1.0 3.0
   75    47    49    50   0.28000  1.0 3.0
   75    47    49    51   0.28000  1.0 3.0
   75    47    49    57   0.23450  1.0 1.0
   75    47    49    57   0.02050 -1.0 2.0
   75    47    49    57   0.25250  1.0 3.0
   76    75    47    44   0.28000  1.0 3.0
   76    75    47    49   0.28000  1.0 3.0
   77    75    47    44   0.28000  1.0 3.0
   77    75    47    49   0.28000  1.0 3.0
   47    44   -46    48   0.83750  1.0 1.0
   47    44   -46    48   0.32200 -1.0 2.0
   47    44   -46    48   0.70600  1.0 3.0
   47    44   -46    57   1.53400  1.0 1.0
   47    44   -46    57  -0.09950 -1.0 2.0
   47    44   -46    57   0.05700  1.0 3.0
   47    44    46    52   1.53400  1.0 1.0
   47    44    46    52  -0.09950 -1.0 2.0
   47    44    46    52   0.05700  1.0 3.0
   47    49   -57    46   1.53400  1.0 1.0
   47    49   -57    46  -0.09950 -1.0 2.0
   47    49   -57    46   0.05700  1.0 3.0
   47    49    57    58   0.15000  1.0 3.0
   47    49    57    59   0.15000  1.0 3.0
   50    49    57    46   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   51    49    57    46   0.15000  1.0 3.0
   51    49    57    58   0.15000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   57    46    48    55   0.04150 -1.0 2.0
   57    46    48    70   0.04150 -1.0 2.0
   57    46    52    33   0.56750  1.0 1.0
   57    46    52    33  -0.07550 -1.0 2.0
   57    46    52    33   0.20000  1.0 3.0
   57    46    52    53   0.62750  1.0 1.0
   57    46    52    53  -0.30950 -1.0 2.0
   57    46    52    53   0.27300  1.0 3.0
   57    46    52    54   0.15000  1.0 3.0
   65    61    63    64   3.62500 -1.0 2.0
   65    61    63    70   3.62500 -1.0 2.0
   62    60    61    63   3.62500 -1.0 2.0
   62    60    61    65   3.62500 -1.0 2.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33   -38    41   0.56750  1.0 1.0
   52    33   -38    41  -0.07550 -1.0 2.0
   52    33   -38    41   0.20000  1.0 3.0
   52    46    48    55   0.04150 -1.0 2.0
   52    46    48    70   0.04150 -1.0 2.0
   52    46    57    49   0.56750  1.0 1.0
   52    46    57    49  -0.07550 -1.0 2.0
   52    46    57    49   0.20000  1.0 3.0
   52    46    57    58   0.15000  1.0 3.0
   52    46    57    59   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   55    70    48    46   4.00000 -1.0 2.0
   60    56    55    48   1.10000 -1.0 2.0
   61    62    60    55   4.00000 -1.0 2.0
   63    65    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   63    75    70    48   4.00000 -1.0 2.0
END
