* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    222     416
    1     0 S   NP   _N1_     1    29.20570    97.32029   -24.92593
    2     1 S   H    _HN1     2     1.02949    71.47533     1.56810
    3     1 S   H    _H1_     3     1.02829    35.91863   173.91054
    4     1 S   H    _H2_     4     1.02793   115.41786  -100.47677
    5     1 S   CT   _CA1     5     1.50124   128.67872   103.28917
    6     5 S   HC   _HA1     6     1.09575   105.17241    95.52639
    7     5 S   CO3  _C1_     7     1.53774   112.43644   -24.68099
    8     7 S   O2Z  _O11     8     1.26374   115.00639   -43.15700
    9     7 S   O2Z  _O12     9     1.26238   114.94163   135.86522
   10     5 S   CT   _CB1    10     1.53066   107.40722  -146.52087
   11    10 S   HC   HB11    11     1.09840   109.33783   -49.57509
   12    10 S   HC   HB12    12     1.09813   110.47624    67.02103
   13    10 S   CT   _CG1    13     1.53011   112.62597  -170.52300
   14    13 S   HC   HG11    14     1.09575   110.69088   -66.70344
   15    13 S   HC   HG12    15     1.09672   109.73158    52.53829
   16    13 S   C    _CD1    16     1.51813   112.07728   172.99075
   17    16 S   O    _OE1    17     1.22752   123.21192    10.09993
   18    16 S   N    _N2_    18     1.38643   111.77900  -169.87383
   19    18 S   H    _HN2    19     1.01575   119.01286     1.15420
   20    18 S   CT1  _CA2    20     1.46237   123.41597   177.05151
   21    20 S   HC   _HA2    21     1.09740   109.26916     7.23470
   22    20 S   C    _C2_    22     1.53679   108.89221  -108.28773
   23    22 S   O    _O2_    23     1.23085   122.24537  -149.17453
   24    20 S   CT   _CB2    32     1.53415   111.60718   129.21243
   25    24 S   HC   HB21    33     1.09536   109.73629    57.05891
   26    24 S   HC   HB22    34     1.09468   109.76837   175.94894
   27    22 S   N    _N3_    24     1.38319   113.88729    38.34318
   28    27 S   H    _HN3    25     1.01545   119.61276    -3.23198
   29    24 S   S    _SG2    35     1.83204   111.21085   -64.35457
   30    27 S   CT   _CA3    26     1.45279   123.25690   177.19760
   31    30 S   HC   HA31    27     1.09549   107.51196   -64.83551
   32    30 S   HC   HA32    28     1.09557   107.99544    51.61862
   33    29 S   CT   _C16    36     1.83112   101.41701   176.11294
   34    33 S   OM   _O35    37     1.30844   112.11768   -65.84998
   35    30 S   CO3  _C3_    29     1.52969   114.05658   173.62572
   36    35 S   O2Z  _O31    30     1.26381   116.08390    -0.22900
   37    35 S   O2Z  _O32    31     1.26426   114.41457   179.82529
   38    33 S   N    _N5_    38     1.43861   111.14443    55.51485
   39    38 S   H    _H17    39     1.01252   120.11487   -75.98888
   40    38 S   C    _C15    40     1.38132   119.34587   103.41084
   41    40 S   O    _O34    41     1.22689   124.13437  -177.82714
   42    40 S   CT   _C14    42     1.51976   112.03961     0.96975
   43    42 S   HC   _H3_    43     1.09565   107.51808  -102.34847
   44    33 S   S    _S1_    44     1.81632   109.19678   170.75320
   45    42 S   CT   _C13    45     1.53181   111.06198   135.40342
   46    45 S   HC   _H15    46     1.09881   109.70324    53.18936
   47    45 S   HC   _H16    47     1.09876   110.44650   -61.63008
   48    45 S   CA   _C10    48     1.50977   113.94103   173.56892
   49    48 S   CA   _C9_    49     1.39891   120.63944   109.02834
   50    49 S   HA   _H12    50     1.08723   120.46679     0.02798
   51    49 S   CA   _C8_    51     1.39641   120.39295  -179.67314
   52    51 S   HA   _H11    52     1.08740   119.19900   179.84677
   53    51 S   CA   _C7_    53     1.39793   120.64035     0.04846
   54    53 S   CA   _C12    54     1.39563   119.21580    -0.30774
   55    54 S   HA   _H14    55     1.08523   122.00889  -179.53061
   56    53 S   OS   _O33    58     1.36868   114.87990   179.97202
   57    48 S   CA   _C11    56     1.40065   120.55034   -70.86138
   58    57 S   HA   _H13    57     1.08764   120.16638    -0.41449
   59    56 S   CT   _C6_    59     1.42905   117.12079  -175.80367
   60    59 S   HC   _H9_    60     1.09646   109.32045   -64.44556
   61    59 S   HC   _H10    61     1.09615   110.32983    56.36927
   62    59 S   CT   _C5_    62     1.53130   108.60874   177.50299
   63    62 S   HC   _H7_    63     1.09739   109.05900    51.99025
   64    62 S   HC   _H8_    64     1.09582   110.56608   167.52201
   65    62 S   NE   _N4_    65     1.46803   111.45258   -68.91079
   66    65 S   CA   _C17    66     1.38706   122.32009   -81.27565
   67    65 S   CT   _C4_    77     1.46018   117.37250    92.88568
   68    67 S   HC   _H4_    78     1.09567   110.85337  -114.61494
   69    67 S   HC   _H5_    79     1.09546   110.87940   123.58307
   70    67 S   HC   _H6_    80     1.09564   111.76595     4.59662
   71    66 S   CA   _C18    67     1.41286   123.43645   178.83786
   72    71 S   HA   _H18    68     1.08643   121.27994    -0.07402
   73    71 S   CA   _C19    69     1.39453   120.97305   179.89165
   74    73 S   HA   _H19    70     1.08643   120.04264   180.00000
   75    73 S   CA   _C20    71     1.38417   119.71601    -0.03956
   76    75 S   HA   _H20    72     1.08472   120.84017   180.00000
   77    75 S   CA   _C21    73     1.38168   118.33764    -0.00000
   78    77 S   HA   _H21    74     1.08235   123.36803   179.97202
   79    66 S   NAP  _N6_    75     1.35262   120.52469    -1.36473
   80    79 S   H    _H22    76     1.01610   118.98777     0.37639
  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   7   5   4   3
   9   5   2   1   1   7   4   8   4   8   5   4   9   4   3   9
   8   4   7   3   9   5   3   8   1   1   8   5   4  10   4   3
  11  13   5   2   1   1   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    42    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    44  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    48    49    57  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48    49    50    51    54    57    58  
   47    48    49    57  
   48    49    57  
   49    50    51    52    53    54    55    57    58  
   50    51    52    53    54    57    58    56  
   51    52    53    57  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    56    59    60    61    62  
   55    57    58    56    59  
   57    58    56  
   59    60    61    62    63    64    65    57  
   58  
    0  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    71    79    67    68    69    70  
   64    65    66    67  
   65    66    67  
   66    71    72    73    77    79    80    67    68    69    70  
   71    72    73    74    75    77    78    79    80    67    68    69    70  
   68    69    70    71    79  
   69    70  
   70  
    0  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   39   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.3000   0.1700  -0.120000   1.9050   1.6860   0.051222218  -2.220205820
   66   3.5500   0.0700   0.515300   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700  -0.744500   1.9750   1.7500   0.001000000  -0.511443539
   80   0.0000   0.0000   0.368100   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    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   570.000  1.307
   33    38   337.000  1.449
   33    44   222.000  1.810
   38    39   434.000  1.010
   38    40   490.000  1.335
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   222.000  1.810
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   469.000  1.400
   48    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   382.000  1.448
   65    66   481.000  1.340
   65    67   382.000  1.448
   66    71   469.000  1.400
   66    79   485.000  1.342
   71    72   367.000  1.080
   71    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   367.000  1.080
   77    79   485.000  1.342
   79    80   475.000  1.020
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    85.00000  114.68000
   29    33    38    80.00000  108.62000
   29    33    44    75.00000  118.28000
   33    38    39    38.00000  118.40000
   33    38    40    50.00000  121.90000
   33    44    42    62.00000   98.90000
   38    33    34    95.00000  111.00000
   38    40    41    80.00000  122.90000
   38    40    42    70.00000  116.60000
   40    38    39    35.00000  119.80000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.33000
   40    42    45    63.00000  111.10000
   42    40    41    80.00000  120.40000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    70.00000  112.17500
   44    33    34    85.00000  114.68000
   44    33    38    80.00000  108.62000
   44    42    43    35.00000  109.50000
   45    42    43    37.50000  110.70000
   45    42    44    75.00000  111.63000
   45    48    49    70.00000  120.00000
   45    48    57    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    57    54    63.00000  120.00000
   48    57    58    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   57    48    49    63.00000  120.00000
   57    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    80.00000  111.61500
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    50.00000  120.00000
   62    65    67    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    71    70.00000  120.10000
   65    66    79    80.00000  116.73000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   66    71    72    35.00000  120.00000
   66    71    73    63.00000  120.00000
   66    79    77    70.00000  123.81700
   66    79    80    45.00000  117.56800
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  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    35.00000  120.00000
   75    77    79    70.00000  119.29800
   77    75    76    35.00000  120.00000
   77    79    80    45.00000  117.56800
   79    66    71    70.00000  119.29800
   79    77    78    45.00000  112.84900
   67    65    66    50.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    44   0.08500  1.0 1.0
   24    29    33    44  -0.53150 -1.0 2.0
   24    29    33    44   0.48050  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   0.00000  1.0 1.0
   29    33    38    40  -0.42300  1.0 1.0
   29    33    38    40  -0.07000 -1.0 2.0
   29    33    38    40   0.04150  1.0 3.0
   29    33    44    42   0.08500  1.0 1.0
   29    33    44    42  -0.53150 -1.0 2.0
   29    33    44    42   0.48050  1.0 3.0
   33    38    40    41   3.04450 -1.0 2.0
   33    38   -40    42   1.49850  1.0 1.0
   33    38   -40    42   1.53950 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40  -2.75650  1.0 1.0
   34    33    38    40  -1.18150 -1.0 2.0
   34    33    38    40   0.81900  1.0 3.0
   34    33    44    42   0.13850  1.0 1.0
   34    33    44    42  -1.34450 -1.0 2.0
   34    33    44    42   0.57400  1.0 3.0
   38    33   -44    42   0.01700  1.0 1.0
   38    33   -44    42  -0.23550 -1.0 2.0
   38    33   -44    42   0.21350  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.00000  1.0 1.0
   38    40    42    45   1.39750  1.0 1.0
   38    40    42    45  -0.07950 -1.0 2.0
   38    40    42    45  -0.18750  1.0 3.0
   39    38    40    41   2.45000 -1.0 2.0
   39    38    40    42   2.45000 -1.0 2.0
   40    42   -44    33   0.01700  1.0 1.0
   40    42   -44    33  -0.23550 -1.0 2.0
   40    42   -44    33   0.21350  1.0 3.0
   40    42    45    46  -0.11250  1.0 3.0
   40    42    45    47  -0.11250  1.0 3.0
   40    42    45    48   0.56750  1.0 1.0
   40    42    45    48  -0.07550 -1.0 2.0
   40    42    45    48   0.20000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.30150 -1.0 2.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    48    49   0.04150 -1.0 2.0
   42    45    48    57   0.04150 -1.0 2.0
   43    42    44    33   0.32350  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.43200  1.0 3.0
   44    33    38    39   0.00000  1.0 1.0
   44    33   -38    40  -0.42300  1.0 1.0
   44    33   -38    40  -0.07000 -1.0 2.0
   44    33   -38    40   0.04150  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.56750  1.0 1.0
   44    42    45    48  -0.07550 -1.0 2.0
   44    42    45    48   0.20000  1.0 3.0
   45    42    44    33   0.01700  1.0 1.0
   45    42    44    33  -0.23550 -1.0 2.0
   45    42    44    33   0.21350  1.0 3.0
   45    48    49    50   3.62500 -1.0 2.0
   45    48    49    51   3.62500 -1.0 2.0
   45    48    57    54   3.62500 -1.0 2.0
   45    48    57    58   3.62500 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    57   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    57   0.00000  1.0 1.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    57    54   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    56    59   1.63200 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -57    48   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    56    59    60   0.08050  1.0 3.0
   53    56    59    61   0.08050  1.0 3.0
   53    56    59    62  -0.32850  1.0 1.0
   53    56    59    62  -0.35800 -1.0 2.0
   53    56    59    62   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   55    54    57    48   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    62    63   0.23400  1.0 3.0
   56    59    62    64   0.23400  1.0 3.0
   56    59    62    65   2.03850  1.0 1.0
   56    59    62    65  -0.40600 -1.0 2.0
   59    62    65    66  -0.12500  1.0 1.0
   59    62    65    66  -0.12500 -1.0 2.0
   59    62    65    66   0.25000  1.0 3.0
   59    62    65    67   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.22950  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.22950  1.0 3.0
   62    65    66    71  -1.00000  1.0 1.0
   62    65    66    71   1.25000 -1.0 2.0
   62    65    66    79  -1.10000  1.0 1.0
   62    65    66    79   1.25000 -1.0 2.0
   62    65    67    68   0.00000  1.0 1.0
   62    65    67    69   0.00000  1.0 1.0
   62    65    67    70   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    66    71    72   3.62500 -1.0 2.0
   65    66    71    73   3.62500 -1.0 2.0
   65    66    79    77   3.62500 -1.0 2.0
   65    66    79    80   3.62500 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.00000  1.0 1.0
   66    71    73    74   3.62500 -1.0 2.0
   66    71    73    75   3.62500 -1.0 2.0
   71    66    79    77   3.62500 -1.0 2.0
   71    66    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   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   -79    66   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    66   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    66    71    72   3.62500 -1.0 2.0
   79    66   -71    73   3.62500 -1.0 2.0
   67    65    66    71  -1.00000  1.0 1.0
   67    65    66    71   1.25000 -1.0 2.0
   67    65    66    79  -1.10000  1.0 1.0
   67    65    66    79   1.25000 -1.0 2.0
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
   39    40    38    33   1.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   49    57    48    45   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    58    57    48   1.10000 -1.0 2.0
   67    66    65    62   1.00000 -1.0 2.0
   71    79    66    65   4.00000 -1.0 2.0
   73    72    71    66   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    66    79    77   1.00000 -1.0 2.0
END
