* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    154    231     436
    1     0 S   NP   _N1_     1    28.73273    93.18301   -19.55299
    2     1 S   H    _HN1     2     1.02950    99.87955    45.71586
    3     1 S   H    _H1_     3     1.02930    24.11707   154.93699
    4     1 S   H    _H2_     4     1.02765    88.52774   -62.53602
    5     1 S   CT   _CA1     5     1.50038   133.92092   177.13645
    6     5 S   HC   _HA1     6     1.09584   105.18459    48.01144
    7     5 S   CO3  _C1_     7     1.53719   112.55914   -72.04139
    8     7 S   O2Z  _O11     8     1.26293   115.10338   -44.00257
    9     7 S   O2Z  _O12     9     1.26255   114.91609   135.30513
   10     5 S   CT   _CB1    10     1.53133   107.33510   165.57663
   11    10 S   HC   HB11    11     1.09809   108.94737   -52.78957
   12    10 S   HC   HB12    12     1.09832   110.48725    63.55470
   13    10 S   CT   _CG1    13     1.53089   112.90763  -174.15819
   14    13 S   HC   HG11    14     1.09609   110.09533   -66.65476
   15    13 S   HC   HG12    15     1.09638   110.21941    52.47287
   16    13 S   C    _CD1    16     1.51917   112.29177   172.32959
   17    16 S   O    _OE1    17     1.22758   123.08384   -14.00287
   18    16 S   N    _N2_    18     1.38655   111.88405   167.19226
   19    18 S   H    _HN2    19     1.01578   119.05741    -0.08156
   20    18 S   CT1  _CA2    20     1.46399   123.41160  -179.18195
   21    20 S   HC   _HA2    21     1.09745   109.20473   -15.68335
   22    20 S   C    _C2_    22     1.53425   108.25603  -131.23010
   23    22 S   O    _O2_    23     1.23003   122.34216  -146.14283
   24    20 S   CT   _CB2    32     1.53567   111.64105   106.37768
   25    24 S   HC   HB21    33     1.09583   109.68237    55.23802
   26    24 S   HC   HB22    34     1.09470   110.55458   174.36205
   27    22 S   N    _N3_    24     1.38553   113.30792    41.28492
   28    27 S   H    _HN3    25     1.01529   118.87275    -0.61834
   29    24 S   S    _SG2    35     1.82542   111.40104   -65.55106
   30    27 S   CT   _CA3    26     1.45444   123.44572   175.08745
   31    30 S   HC   HA31    27     1.09524   109.21695    24.72954
   32    30 S   HC   HA32    28     1.09495   107.12457   141.73183
   33    29 S   CT   _C23    36     1.85536    99.78215   169.78304
   34    33 S   HC   _H3_    37     1.09824   106.92515   -31.99452
   35    30 S   CO3  _C3_    29     1.52927   113.14010   -98.73432
   36    35 S   O2Z  _O31    30     1.26401   115.42125   -44.08332
   37    35 S   O2Z  _O32    31     1.26357   114.97266   136.85983
   38    33 S   CT   _C21    38     1.55983   109.33899    88.97676
   39    38 S   OM   _O22    39     1.32602   107.56562  -168.96913
   40    38 S   HC   _H46    40     1.10200   106.58590   -43.44570
   41    38 S   HC   _H47    41     1.10264   106.12026    63.79238
   42    33 S   CT   _C22    42     1.54477   106.55021  -148.24244
   43    42 S   HC   _H48    43     1.09813   109.83556   -53.25530
   44    42 S   HC   _H49    44     1.09582   110.74278  -173.36363
   45    42 S   OS   _O25    45     1.43384   108.04548    69.17429
   46    45 S   CA   _C15    46     1.36593   117.38252  -158.36404
   47    46 S   CA   _C10    47     1.39404   114.93785   163.92543
   48    47 S   HA   _H33    48     1.08739   120.31108     0.12820
   49    47 S   CA   _C6_    49     1.39564   120.44251  -178.93174
   50    49 S   HA   _H29    50     1.08806   118.09336   179.30058
   51    49 S   CA   _C13    51     1.40836   121.31696     0.27052
   52    51 S   CA   _C7_    52     1.40375   117.40806    -1.84228
   53    52 S   HA   _H30    53     1.08609   121.33545  -178.74711
   54    51 S   CT   _C24    56     1.54549   119.49257   178.11363
   55    46 S   CA   _C11    54     1.39311   125.87706   -16.78124
   56    55 S   HA   _H34    55     1.08590   121.59186    -1.40750
   57    54 S   CA   _C12    57     1.54637   110.21984   -52.76024
   58    54 S   CT   _C18    77     1.55152   106.49261    71.14379
   59    58 S   HC   _H38    78     1.09741   111.05237    57.52778
   60    58 S   HC   _H39    79     1.09667   111.55076   176.96043
   61    58 S   HC   _H40    80     1.09645   112.42101   -62.14401
   62    54 S   CT   _C19    81     1.55176   113.83197  -172.75343
   63    62 S   HC   _H41    82     1.09667   111.63084   -63.33978
   64    62 S   HC   _H42    83     1.09623   112.46017    57.37817
   65    62 S   HC   _H43    84     1.09736   111.01908   177.34332
   66    57 S   CA   _C4_    58     1.40338   122.94076   120.18862
   67    66 S   HA   _H27    59     1.08611   121.37212     1.94400
   68    66 S   CA   _C8_    60     1.40120   121.33461  -177.01272
   69    68 S   HA   _H31    61     1.08562   117.68788   179.41818
   70    68 S   CA   _C14    62     1.39374   120.41073     0.03426
   71    70 S   CA   _C9_    63     1.39472   119.03318    -1.57781
   72    71 S   HA   _H32    64     1.08720   120.29324  -179.45106
   73    70 S   OS   _O24    67     1.36882   125.90154   178.06104
   74    57 S   CA   _C5_    65     1.40828   119.65354   -58.14261
   75    74 S   HA   _H28    66     1.08785   120.45029    -1.49685
   76    73 S   CT   _C20    68     1.42842   116.79022    -8.24503
   77    76 S   HC   _H44    69     1.09730   110.35360   -52.72059
   78    76 S   HC   _H45    70     1.09598   109.79179    68.37684
   79    76 S   C3T  _C17    71     1.49344   108.17589  -173.15536
   80    79 S   HC   _H37    72     1.08128   114.00110   -58.26095
   81    79 S   C3T  _C16    73     1.50399   121.10301   149.34232
   82    81 S   HC   _H35    74     1.08227   118.96984     4.71742
   83    81 S   HC   _H36    75     1.08239   118.14315   152.03410
   84    79 S   O3T  _O23    76     1.43269   114.58062    82.63223
  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
  10   8   2   1   1   7   3   2   1   6   3   2   7   9   8   4
   9   3  16   7   3  16   1   1  17   9   3   2   1   5   2   1
   1   8   4   7   3   9   5   3   8   1   1   8   5   4   5   4
   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43    44    45  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    55  
   44    45    46  
   45    46  
   46    47    48    49    52    55    56  
   47    48    49    50    51    52    53    55    56  
   48    49    50    51    52    55    56    54  
   49    50    51    55  
   50    51    52    53    55    54    57    58    62  
   51    52    54  
   52    53    55    56    54    57    66    74    58    59    60    61    62    63    64    65  
   53    55    56    54    57    58    62  
   55    56    54  
   57    66    67    68    71    74    75    58    59    60    61    62    63    64    65    55  
   56  
    0  
   66    67    68    69    70    71    72    74    75    58    59    60    61    62    63    64    65  
   59    60    61    62    63    64    65    66    74  
   60    61    62  
   61    62  
   62  
   63    64    65    66    74  
   64    65  
   65  
    0  
   67    68    69    70    71    74    75    73  
   68    69    70    74  
   69    70    71    72    74    73    76  
   70    71    73  
   71    72    74    75    73    76    77    78    79  
   72    74    75    73    76  
   74    75    73  
   76    77    78    79    80    81    84    74  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81    84  
   79    80    81    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.156500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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    42   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   320.000  1.410
   45    46   450.000  1.364
   46    47   469.000  1.400
   46    55   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   469.000  1.400
   51    54   317.000  1.510
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   54    57   317.000  1.510
   54    58   268.000  1.529
   54    62   268.000  1.529
   57    66   469.000  1.400
   57    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    75   367.000  1.080
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   275.000  1.510
   79    80   340.000  1.088
   79    81   260.000  1.509
   79    84   335.000  1.432
   81    82   340.000  1.088
   81    83   340.000  1.088
   81    84   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    42    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   40    38    39    45.00000  125.66300
   41    38    39    45.00000  125.66300
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    45    46    75.00000  111.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    46    47    70.00000  120.00000
   45    46    55    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    55    52    63.00000  120.00000
   46    55    56    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    63.00000  120.00000
   49    51    54    70.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    55    63.00000  120.00000
   51    54    57    70.00000  112.04700
   51    54    58    70.00000  112.17500
   51    54    62    70.00000  112.17500
   52    55    56    35.00000  120.00000
   55    46    47    63.00000  120.00000
   55    52    53    35.00000  120.00000
   54    51    52    70.00000  120.00000
   54    57    66    70.00000  120.00000
   54    57    74    70.00000  120.00000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   57    66    67    35.00000  120.00000
   57    66    68    63.00000  120.00000
   57    74    71    63.00000  120.00000
   57    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    76    75.00000  111.00000
   71    74    75    35.00000  120.00000
   74    57    66    63.00000  120.00000
   74    71    72    35.00000  120.00000
   73    70    71    70.00000  120.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    50.00000  109.50000
   76    79    80    40.00000  115.04500
   76    79    81    60.00000  120.94000
   76    79    84    80.00000  116.47100
   78    76    77    33.00000  107.80000
   79    76    77    45.00000  109.38400
   79    76    78    45.00000  109.38400
   79    81    82    37.50000  117.20000
   79    81    83    37.50000  117.20000
   79    81    84    15.00000   60.43100
   79    84    81    15.00000   59.14900
   81    79    80    37.50000  117.20000
   83    81    82    35.00000  114.30000
   84    79    80    50.00000  114.27700
   84    79    81    15.00000   60.43100
   84    81    82    50.00000  114.27700
   84    81    83    50.00000  114.27700
   58    54    57    70.00000  112.17500
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    57    70.00000  112.17500
   62    54    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.32350  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.56750  1.0 1.0
   29    33    42    45  -0.07550 -1.0 2.0
   29    33    42    45   0.20000  1.0 3.0
   33    42    45    46  -0.32850  1.0 1.0
   33    42    45    46  -0.35800 -1.0 2.0
   33    42    45    46   0.33950  1.0 3.0
   34    33    38    39   0.23400  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    42    43   0.15000  1.0 3.0
   34    33    42    44   0.15000  1.0 3.0
   34    33    42    45   0.23400  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    45   0.62750  1.0 1.0
   38    33    42    45  -0.30950 -1.0 2.0
   38    33    42    45   0.27300  1.0 3.0
   42    33    38    39   0.62750  1.0 1.0
   42    33    38    39  -0.30950 -1.0 2.0
   42    33    38    39   0.27300  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    45    46    47   1.63200 -1.0 2.0
   42    45    46    55   1.63200 -1.0 2.0
   43    42    45    46   0.08050  1.0 3.0
   44    42    45    46   0.08050  1.0 3.0
   45    46    47    48   3.62500 -1.0 2.0
   45    46    47    49   3.62500 -1.0 2.0
   45    46    55    52   3.62500 -1.0 2.0
   45    46    55    56   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    51   3.62500 -1.0 2.0
   47    46    55    52   3.62500 -1.0 2.0
   47    46    55    56   3.62500 -1.0 2.0
   47    49   -51    52   3.62500 -1.0 2.0
   47    49    51    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    55   3.62500 -1.0 2.0
   49    51    54    57   0.04300 -1.0 2.0
   49    51    54    58   0.04150 -1.0 2.0
   49    51    54    62   0.04150 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    54   3.62500 -1.0 2.0
   51    52   -55    46   3.62500 -1.0 2.0
   51    52    55    56   3.62500 -1.0 2.0
   51    54    57    66   0.04300 -1.0 2.0
   51    54    57    74   0.04300 -1.0 2.0
   51    54    58    59   0.43200  1.0 3.0
   51    54    58    60   0.43200  1.0 3.0
   51    54    58    61   0.43200  1.0 3.0
   51    54    62    63   0.43200  1.0 3.0
   51    54    62    64   0.43200  1.0 3.0
   51    54    62    65   0.43200  1.0 3.0
   52    51    54    57   0.04300 -1.0 2.0
   52    51    54    58   0.04150 -1.0 2.0
   52    51    54    62   0.04150 -1.0 2.0
   53    52    55    46   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   55    46    47    48   3.62500 -1.0 2.0
   55    46   -47    49   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    55   3.62500 -1.0 2.0
   54    57    66    67   3.62500 -1.0 2.0
   54    57    66    68   3.62500 -1.0 2.0
   54    57    74    71   3.62500 -1.0 2.0
   54    57    74    75   3.62500 -1.0 2.0
   57    54    58    59   0.43200  1.0 3.0
   57    54    58    60   0.43200  1.0 3.0
   57    54    58    61   0.43200  1.0 3.0
   57    54    62    63   0.43200  1.0 3.0
   57    54    62    64   0.43200  1.0 3.0
   57    54    62    65   0.43200  1.0 3.0
   57    66    68    69   3.62500 -1.0 2.0
   57    66    68    70   3.62500 -1.0 2.0
   66    57    74    71   3.62500 -1.0 2.0
   66    57    74    75   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    73   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    73    76   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    71   -74    57   3.62500 -1.0 2.0
   70    71    74    75   3.62500 -1.0 2.0
   70    73    76    77   0.08050  1.0 3.0
   70    73    76    78   0.08050  1.0 3.0
   70    73    76    79  -0.32850  1.0 1.0
   70    73    76    79  -0.35800 -1.0 2.0
   70    73    76    79   0.33950  1.0 3.0
   71    70    73    76   1.63200 -1.0 2.0
   72    71    74    57   3.62500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   74    57    66    67   3.62500 -1.0 2.0
   74    57   -66    68   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   73    76    79    80   0.23400  1.0 3.0
   73    76    79    81  -0.26800  1.0 1.0
   73    76    79    81   0.69150 -1.0 2.0
   73    76    79    81  -0.48750  1.0 3.0
   73    76    79    84   1.11900  1.0 1.0
   73    76    79    84  -1.16350 -1.0 2.0
   73    76    79    84  -0.34150  1.0 3.0
   76    79    81    82   0.15000  1.0 3.0
   76    79    81    83   0.15000  1.0 3.0
   76    79   -81    84   0.02550  1.0 1.0
   76    79   -81    84  -0.02600 -1.0 2.0
   76    79   -81    84   1.20400  1.0 3.0
   76    79   -84    81   0.06250  1.0 1.0
   76    79   -84    81  -0.01100 -1.0 2.0
   76    79   -84    81   0.28050  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    84   0.23400  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    84   0.23400  1.0 3.0
   80    79    81    82   0.15000  1.0 3.0
   80    79    81    83   0.15000  1.0 3.0
   80    79   -81    84   0.23400  1.0 3.0
   80    79   -84    81   0.36800  1.0 3.0
   82    81   -84    79   0.36800  1.0 3.0
   83    81   -84    79   0.36800  1.0 3.0
   84    79   -81    82   0.23400  1.0 3.0
   84    79   -81    83   0.23400  1.0 3.0
   58    54    57    66   0.04150 -1.0 2.0
   58    54    57    74   0.04150 -1.0 2.0
   58    54    62    63   0.15000  1.0 3.0
   58    54    62    64   0.15000  1.0 3.0
   58    54    62    65   0.15000  1.0 3.0
   62    54    57    66   0.04150 -1.0 2.0
   62    54    57    74   0.04150 -1.0 2.0
   62    54    58    59   0.15000  1.0 3.0
   62    54    58    60   0.15000  1.0 3.0
   62    54    58    61   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   47    55    46    45   4.00000 -1.0 2.0
   49    48    47    46   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   52    56    55    46   1.10000 -1.0 2.0
   66    74    57    54   4.00000 -1.0 2.0
   68    67    66    57   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    75    74    57   1.10000 -1.0 2.0
END
