* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    140    214     407
    1     0 S   NP   _N1_     1    28.28495    90.92090   -18.53536
    2     1 S   H    _HN1     2     1.02965   104.59595    92.53133
    3     1 S   H    _H1_     3     1.02842     5.57675  -151.01915
    4     1 S   H    _H2_     4     1.02788   104.34919   -21.09510
    5     1 S   CT   _CA1     5     1.50076   116.34884  -145.37258
    6     5 S   HC   _HA1     6     1.09556   105.16050    58.31516
    7     5 S   CO3  _C1_     7     1.53705   112.55715   -61.70138
    8     7 S   O2Z  _O11     8     1.26325   115.01345   -45.03660
    9     7 S   O2Z  _O12     9     1.26267   114.86844   134.34108
   10     5 S   CT   _CB1    10     1.53076   107.42609   175.91731
   11    10 S   HC   HB11    11     1.09780   108.87853   -54.43763
   12    10 S   HC   HB12    12     1.09813   110.57994    61.86295
   13    10 S   CT   _CG1    13     1.52974   112.75023  -175.94290
   14    13 S   HC   HG11    14     1.09594   110.29320   -67.78608
   15    13 S   HC   HG12    15     1.09557   110.02488    51.38112
   16    13 S   C    _CD1    16     1.51684   112.47411   170.90260
   17    16 S   O    _OE1    17     1.22686   123.06838   -11.17318
   18    16 S   N    _N2_    18     1.38491   111.75899   170.41723
   19    18 S   H    _HN2    19     1.01675   118.81705    -4.02667
   20    18 S   CT1  _CA2    20     1.45933   123.52912   174.51942
   21    20 S   HC   _HA2    21     1.09494   108.69250   -29.47163
   22    20 S   C    _C2_    22     1.52497   104.93000  -146.89389
   23    22 S   O    _O2_    23     1.23008   121.93218   -47.75782
   24    20 S   CT   _CB2    32     1.53435   113.12227    95.16689
   25    24 S   HC   HB21    33     1.09631   110.20288    46.61804
   26    24 S   HC   HB22    34     1.09608   110.54107   164.25041
   27    22 S   N    _N3_    24     1.38357   113.37983   132.66622
   28    27 S   H    _HN3    25     1.01543   120.00511    -0.49575
   29    24 S   S    _SG2    35     1.82398   113.75604   -73.85620
   30    27 S   CT   _CA3    26     1.45453   122.46223  -176.76820
   31    30 S   HC   HA31    27     1.09501   107.29501  -148.84854
   32    30 S   HC   HA32    28     1.09549   109.47416   -31.95092
   33    29 S   C    _C16    36     1.75971    98.76198   -66.12573
   34    33 S   O    _O35    37     1.22251   121.91774   -58.00777
   35    30 S   CO3  _C3_    29     1.52787   112.00571    90.14150
   36    35 S   O2Z  _O31    30     1.26465   115.39326   -88.27925
   37    35 S   O2Z  _O32    31     1.26287   115.09926    90.96261
   38    33 S   N    _N5_    38     1.37958   109.99612   121.24173
   39    38 S   H    _H17    39     1.01541   116.21967     1.41637
   40    38 S   C    _C15    40     1.39325   124.89808  -172.27617
   41    40 S   O    _O34    41     1.23030   124.49530    -5.60273
   42    40 S   CT   _C14    42     1.53466   112.38129   173.61810
   43    42 S   SM   _S1_    43     1.84046   107.39360   109.80768
   44    42 S   HC   _H3_    44     1.09707   109.50405   -10.96394
   45    42 S   CT   _C13    45     1.54178   110.49087  -130.78821
   46    45 S   HC   _H15    46     1.09927   111.23368  -164.19011
   47    45 S   HC   _H16    47     1.09893   111.83139   -46.53614
   48    45 S   CA   _C10    48     1.51495   111.58504    75.63777
   49    48 S   CA   _C9_    49     1.39992   120.22069    89.26406
   50    49 S   HA   _H12    50     1.08713   120.30514     1.29860
   51    49 S   CA   _C8_    51     1.39613   120.44155  -178.30465
   52    51 S   HA   _H11    52     1.08708   119.27890   179.96574
   53    51 S   CA   _C7_    53     1.39744   120.55914     0.72470
   54    53 S   CA   _C12    54     1.39619   119.26005    -0.93628
   55    54 S   HA   _H14    55     1.08549   121.98409  -179.32334
   56    53 S   OS   _O33    58     1.36928   114.90397   179.54372
   57    48 S   CA   _C11    56     1.40013   120.92997   -88.95031
   58    57 S   HA   _H13    57     1.08752   120.27385    -1.78882
   59    56 S   CT   _C6_    59     1.42955   116.64720  -170.32104
   60    59 S   HC   _H9_    60     1.09580   109.39181   -63.71382
   61    59 S   HC   _H10    61     1.09577   109.84829    57.34332
   62    59 S   CT   _C5_    62     1.52985   108.94534   178.57701
   63    62 S   HC   _H7_    63     1.09748   108.85360    53.49091
   64    62 S   HC   _H8_    64     1.09536   110.77867   168.85330
   65    62 S   NE   _N4_    65     1.46631   111.46766   -67.18966
   66    65 S   CA   _C17    66     1.38719   122.33603   -83.71559
   67    65 S   CT   _C4_    77     1.45968   117.39674    94.10128
   68    67 S   HC   _H4_    78     1.09479   110.98037  -118.33049
   69    67 S   HC   _H5_    79     1.09545   110.82899   119.87962
   70    67 S   HC   _H6_    80     1.09562   111.79760     0.75017
   71    66 S   CA   _C18    67     1.41394   123.05789   179.89347
   72    71 S   HA   _H18    68     1.08657   121.28134    -0.64650
   73    71 S   CA   _C19    69     1.39384   121.12989   179.38166
   74    73 S   HA   _H19    70     1.08637   120.00187   179.72517
   75    73 S   CA   _C20    71     1.38312   119.62614    -0.46140
   76    75 S   HA   _H20    72     1.08450   120.90376  -179.83568
   77    75 S   CA   _C21    73     1.38116   118.30999     0.41918
   78    77 S   HA   _H21    74     1.08254   123.34209   179.52729
   79    66 S   NAP  _N6_    75     1.35284   120.94910    -0.46730
   80    79 S   H    _H22    76     1.02214   119.83353     2.10338
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   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   3.7500   0.1050   0.578000   1.9250   1.7000   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   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  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   39   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   40   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   43   3.6000   0.3550  -1.007500   2.0300   1.8000   0.025682759  -1.666211680
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   240.000  1.763
   33    34   570.000  1.229
   33    38   490.000  1.335
   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   222.000  1.810
   42    44   340.000  1.090
   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    80.00000  104.86500
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.00000
   29    33    38    75.00000  124.00000
   33    38    39    35.00000  119.80000
   33    38    40    70.00000  121.37400
   38    33    34    80.00000  122.90000
   38    40    41    80.00000  122.90000
   38    40    42    70.00000  116.60000
   40    38    39    35.00000  119.80000
   40    42    43    70.00000  112.33000
   40    42    44    35.00000  109.50000
   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    42    43    35.00000  109.50000
   45    42    43    75.00000  111.63000
   45    42    44    37.50000  110.70000
   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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   2.56700 -1.0 2.0
   29    33    38    40   2.45000 -1.0 2.0
   33    38    40    41   2.22250 -1.0 2.0
   33    38    40    42   2.45000 -1.0 2.0
   34    33    38    39   2.45000 -1.0 2.0
   34    33    38    40   2.22250 -1.0 2.0
   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    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   0.30150 -1.0 2.0
   41    40    42    44   0.00000  1.0 1.0
   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    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.56750  1.0 1.0
   43    42    45    48  -0.07550 -1.0 2.0
   43    42    45    48   0.20000  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   0.43200  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
   29    38    33    34  10.50000 -1.0 2.0
   39    33    38    40   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
