* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    158    255     456
    1     0 S   NP   _N1_     1    31.08668    92.41825   -16.74186
    2     1 S   H    _HN1     2     1.03469   133.46069    -6.24598
    3     1 S   H    _H1_     3     1.02950   110.64921   134.16582
    4     1 S   H    _H2_     4     1.02697    34.02818    43.37144
    5     1 S   CT   _CA1     5     1.50230    79.52963  -117.77391
    6     5 S   HC   _HA1     6     1.09556   105.46395    63.25281
    7     5 S   CO3  _C1_     7     1.53639   112.69844   -57.56157
    8     7 S   O2Z  _O11     8     1.26387   115.12885   -44.76976
    9     7 S   O2Z  _O12     9     1.26266   114.96031   134.71286
   10     5 S   CT   _CB1    10     1.52690   106.89324  -179.16772
   11    10 S   HC   HB11    11     1.09779   108.53560   -55.85772
   12    10 S   HC   HB12    12     1.09660   109.74356    59.92145
   13    10 S   CT   _CG1    13     1.53153   114.46856  -177.25355
   14    13 S   HC   HG11    14     1.09537   111.27601   -74.37622
   15    13 S   HC   HG12    15     1.09574   110.76998    45.66130
   16    13 S   C    _CD1    16     1.51620   109.39200   164.78617
   17    16 S   O    _OE1    17     1.22824   121.73491  -108.84744
   18    16 S   N    _N2_    18     1.38527   112.88264    68.72619
   19    18 S   H    _HN2    19     1.01539   119.15541     9.52685
   20    18 S   CT1  _CA2    20     1.46267   123.09185  -165.80301
   21    20 S   HC   _HA2    21     1.09731   109.17078    -3.07689
   22    20 S   C    _C2_    22     1.53199   109.18839  -119.41393
   23    22 S   O    _O2_    23     1.23040   122.12918  -145.38480
   24    20 S   CT   _CB2    32     1.54020   111.19756   117.81429
   25    24 S   HC   HB21    33     1.09327   109.47080    66.76573
   26    24 S   HC   HB22    34     1.09500   109.74710  -175.27180
   27    22 S   N    _N3_    24     1.38462   113.51414    41.93748
   28    27 S   H    _HN3    25     1.01524   118.95602    -0.27124
   29    24 S   S    _SG2    35     1.83166   111.08038   -55.07136
   30    27 S   CT   _CA3    26     1.45427   123.22934   175.43863
   31    30 S   HC   HA31    27     1.09542   108.94216    29.62088
   32    30 S   HC   HA32    28     1.09490   107.18449   146.55025
   33    29 S   CT   _C11    36     1.83715   102.52031   163.18798
   34    30 S   CO3  _C3_    29     1.52939   113.36353   -93.67091
   35    34 S   O2Z  _O31    30     1.26381   115.51044   -42.96414
   36    34 S   O2Z  _O32    31     1.26375   114.91860   138.02046
   37    33 S   CM   _C9_    37     1.53100   113.34243  -170.17931
   38    33 S   S    _S1_    62     1.86601   109.38225    66.16243
   39    37 S   N4   _N4_    38     1.36521   107.98357   151.23111
   40    37 S   CMA  _C10    59     1.52025   125.41687    -5.69567
   41    40 S   OM   _O34    60     1.26144   120.58316   -95.77113
   42    40 S   OM   _O35    61     1.26469   121.07136    84.79684
   43    38 S   CRA  _C12    63     1.74810   103.37645    74.71045
   44    39 S   C4   _C8_    39     1.34887   135.16365  -141.03714
   45    44 S   O    _O33    40     1.20932   134.29242   -39.53950
   46    39 S   C4T  _C6_    43     1.45764   114.00549    -7.47430
   47    46 S   HC   _H4_    44     1.09913   110.97236   101.24848
   48    43 S   N5B  _N5_    64     1.31313   120.80681    90.32758
   49    44 S   C4T  _C7_    41     1.55940    89.97879   135.40340
   50    49 S   HC   _H5_    42     1.09811   110.60392  -111.72919
   51    33 S   CT   _C5_    45     1.58380   116.00192   -55.63859
   52    51 S   HC   _H3_    46     1.09768   111.27792    84.97506
   53    48 S   C5B  _C13    65     1.38549   109.86137  -179.55721
   54    51 S   CT   _C4_    47     1.53392   116.35170   -38.13325
   55    54 S   HC   _H7_    48     1.09421   112.38306   -54.61473
   56    54 S   HC   _H8_    49     1.09574   110.15069  -174.35416
   57    54 S   HC   _H9_    50     1.09200   111.98867    67.33559
   58    49 S   CT   _C22    51     1.52534   115.61485   122.55783
   59    58 S   HC   _H6_    52     1.09575   109.66076    66.81064
   60    53 S   C5A  _C14    66     1.38270   114.79008    -3.28068
   61    60 S   HA   _H10    67     1.08071   129.52706   179.52440
   62    53 S   CA   _C15    69     1.45566   120.56903   175.30147
   63    58 S   CT   _C23    53     1.52173   110.24231  -172.32269
   64    63 S   HC   _H19    54     1.09561   111.11609    62.30372
   65    63 S   HC   _H20    55     1.09442   111.32072   -58.45687
   66    63 S   HC   _H21    56     1.09515   110.54359  -179.35959
   67    58 S   OH   _O37    57     1.42409   110.05079   -51.74532
   68    67 S   HO   _H22    58     0.97235   107.58650   178.13628
   69    43 S   SA   _S2_    68     1.71279   123.20809   -93.73664
   70    62 S   CA   _C16    70     1.39492   122.10120   152.15452
   71    70 S   HA   _H11    71     1.08618   121.68809    -0.55249
   72    70 S   CA   _C17    72     1.39063   119.52925   179.97202
   73    72 S   HA   _H12    73     1.08407   121.95856  -179.83929
   74    72 S   NAP  _N6_    74     1.35069   120.94547    -0.08393
   75    74 S   CA   _C18    75     1.35027   120.49733    -0.08847
   76    75 S   HA   _H13    76     1.08404   117.23670  -179.41751
   77    74 S   CT   _C20    79     1.47232   119.87556   179.72305
   78    77 S   HC   _H15    80     1.09544   108.13790  -146.60305
   79    77 S   HC   _H16    81     1.09499   108.75159   -29.19118
   80    62 S   CA   _C19    77     1.39670   119.39528   -27.82515
   81    80 S   HA   _H14    78     1.08775   121.23083    -0.68443
   82    77 S   C    _C21    82     1.50620   110.72777    91.42682
   83    82 S   O    _O36    83     1.22751   123.57713   -20.80035
   84    82 S   N    _N7_    84     1.37564   113.25108   160.16360
   85    84 S   H    _H17    85     1.01469   123.11237    -0.19383
   86    84 S   H    _H18    86     1.01477   120.19439   179.65452
  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
  19   2   1   1  14  11  13   5   1   1   7  10   4  13   6   7
  12   5   6   4  10   3   2   1   1   7   6   5   2  10   5   3
   2   1   1   1   1   8   4   9   3  10   7   3   8   4   3   1
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    46    51    52    54    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    44    49    46    47    51    52    54    55    56    57    40    41    42    38    43    48    69  
   35    36  
   36  
    0  
   39    44    45    49    46    47    51    52    54    40    41    42    38    43  
   43    48    53    60    69    39    40    46    51    52    54  
   44    45    49    50    46    47    51    52    54    58    40    41    42  
   41    42    44    46    51  
   42  
    0  
   48    53    60    61    69    62    51  
   45    49    50    46    47    51    58    59    63    67  
   49    50    46    58  
   47    51    52    54    55    56    57    58    59    63    67    49    50  
   51    52    54    58    49    50  
   53    60    61    69    62    70    80  
   50    51    52    54    58    59    63    64    65    66    67    68  
   51    58    59    63    67  
   52    54    55    56    57    58  
   54    55    56    57  
   60    61    69    62    70    71    72    75    80    81  
   55    56    57  
   56    57  
   57  
    0  
   59    63    64    65    66    67    68  
   63    64    65    66    67    68  
   61    69    62    70    80  
   69    62  
   70    71    72    73    74    75    76    80    81    69  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68  
    0  
    0  
   71    72    73    74    75    80    81    77  
   72    73    74    80  
   73    74    75    76    80    77    78    79    82  
   74    75    77  
   75    76    80    81    77    78    79    82    83    84  
   76    80    81    77    78    79    82  
   80    81    77  
   78    79    82    83    84    85    86    80  
   79    82    83    84  
   82    83    84  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0700   0.453400   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   49   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   70   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   75   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   84   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   85   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    44   440.000  1.369
   39    46   305.000  1.456
   44    45   930.000  1.212
   44    49   250.000  1.540
   49    50   340.000  1.090
   49    46   268.000  1.529
   49    58   260.000  1.519
   46    47   340.000  1.090
   46    51   260.000  1.519
   51    52   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   245.000  1.755
   43    48   488.000  1.335
   43    69   250.000  1.765
   48    53   410.000  1.394
   53    60   520.000  1.370
   53    62   330.000  1.454
   60    61   367.000  1.080
   60    69   265.000  1.745
   62    70   469.000  1.400
   62    80   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   485.000  1.342
   74    75   485.000  1.342
   74    77   280.000  1.457
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   317.000  1.522
   82    83   570.000  1.229
   82    84   490.000  1.335
   84    85   434.000  1.010
   84    86   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    51    46    70.00000  112.98000
   33    51    52    37.50000  110.70000
   33    51    54    58.35000  112.70000
   33    38    43    85.00000   97.05500
   37    39    44    50.00000  132.10000
   37    39    46    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    44    45    75.00000  131.60000
   39    44    49    95.00000   92.72400
   39    46    49   105.00000   87.49700
   39    46    47    50.00000  112.01000
   39    46    51    80.00000  110.05700
   44    49    50    40.00000  113.37500
   44    49    46   100.00000   86.36000
   44    49    58    63.00000  111.10000
   49    44    45    60.00000  136.58000
   49    46    47    37.50000  110.70000
   49    46    51    65.00000  119.52000
   49    58    59    45.00000  111.22300
   49    58    63    70.00000  112.98000
   49    58    67    50.00000  109.50000
   46    39    44   100.00000   93.00000
   46    49    50    37.50000  110.70000
   46    51    52    45.00000  111.22300
   46    51    54    70.00000  112.98000
   51    33    37    70.00000  112.02700
   51    46    47    45.00000  112.72800
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   54    51    52    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    49    50    45.00000  112.72800
   58    49    46    65.00000  119.52000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   58    67    68    55.00000  108.50000
   63    58    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    63    50.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    51    75.00000  111.63000
   38    43    48    70.00000  126.12900
   38    43    69    70.00000  123.41300
   43    48    53    70.00000  110.00000
   43    69    60   120.00000   89.04400
   48    53    60    70.00000  111.00000
   48    53    62    70.00000  121.90000
   53    60    61    35.00000  130.70000
   53    60    69    80.00000  111.29200
   53    62    70    65.00000  120.49500
   53    62    80    65.00000  120.49500
   69    43    48    80.00000  114.57700
   69    60    61    40.00000  122.38200
   62    53    60    55.00000  131.00000
   62    70    71    35.00000  120.00000
   62    70    72    63.00000  120.00000
   62    80    75    63.00000  120.00000
   62    80    81    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  119.29800
   72    70    71    35.00000  120.00000
   72    74    75    70.00000  123.81700
   72    74    77    70.00000  119.18700
   74    72    73    45.00000  112.84900
   74    75    76    45.00000  112.84900
   74    75    80    70.00000  119.29800
   74    77    78    50.00000  106.41000
   74    77    79    50.00000  106.41000
   74    77    82    80.00000  106.82000
   75    80    81    35.00000  120.00000
   80    62    70    63.00000  120.00000
   80    75    76    35.00000  120.00000
   77    74    75    70.00000  119.18700
   77    82    83    80.00000  120.40000
   77    82    84    70.00000  116.60000
   79    77    78    33.00000  107.80000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    84    85    35.00000  119.80000
   82    84    86    35.00000  119.80000
   84    82    83    80.00000  122.90000
   86    84    85    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   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    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    44   0.00000  1.0 1.0
   33    37   -39    46   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    57   0.15000  1.0 3.0
   33    38    43    48   0.63150 -1.0 2.0
   33    38    43    69   0.63150 -1.0 2.0
   37    33   -51    46   0.34400  1.0 1.0
   37    33   -51    46   0.09450 -1.0 2.0
   37    33   -51    46   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    54   0.34400  1.0 1.0
   37    33    51    54   0.09450 -1.0 2.0
   37    33    51    54   0.11100  1.0 3.0
   37    33    38    43   0.00000  1.0 1.0
   37    39    44    45   3.00000 -1.0 2.0
   37    39    44    49   3.00000 -1.0 2.0
   37    39   -46    49   0.00000  1.0 1.0
   37    39    46    47   0.00000  1.0 1.0
   37    39   -46    51   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    44    49    50   0.00000  1.0 1.0
   39    44   -49    46   3.00000 -1.0 2.0
   39    44    49    58   1.39750  1.0 1.0
   39    44    49    58  -0.07950 -1.0 2.0
   39    44    49    58  -0.18750  1.0 3.0
   39    46   -51    33   0.43900  1.0 1.0
   39    46   -51    33   0.49100 -1.0 2.0
   39    46   -51    33   0.28400  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    54   0.43900  1.0 1.0
   39    46    51    54   0.49100 -1.0 2.0
   39    46    51    54   0.28400  1.0 3.0
   44    39   -46    49   0.00000  1.0 1.0
   44    39    46    47   0.00000  1.0 1.0
   44    39    46    51   0.00000  1.0 1.0
   44    49   -46    39   3.00000 -1.0 2.0
   44    49   -46    47   0.15000  1.0 3.0
   44    49   -46    51  -0.95700  1.0 1.0
   44    49   -46    51  -0.18200 -1.0 2.0
   44    49   -46    51   0.29450  1.0 3.0
   44    49    58    59  -0.11250  1.0 3.0
   44    49    58    63  -0.95700  1.0 1.0
   44    49    58    63  -0.18200 -1.0 2.0
   44    49    58    63   0.29450  1.0 3.0
   44    49    58    67  -0.09450  1.0 1.0
   44    49    58    67  -1.12950 -1.0 2.0
   44    49    58    67   0.54000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    46  -0.11250  1.0 1.0
   45    44    49    46   0.11400 -1.0 2.0
   45    44    49    46  -0.28950  1.0 3.0
   45    44    49    58   0.30150 -1.0 2.0
   49    46    51    33   0.04050  1.0 1.0
   49    46    51    33   0.63700 -1.0 2.0
   49    46    51    33   0.17650  1.0 3.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    54   0.04050  1.0 1.0
   49    46    51    54   0.63700 -1.0 2.0
   49    46    51    54   0.17650  1.0 3.0
   49    58    63    64   0.15000  1.0 3.0
   49    58    63    65   0.15000  1.0 3.0
   49    58    63    66   0.15000  1.0 3.0
   49    58    67    68  -0.11600  1.0 1.0
   49    58    67    68  -0.09450 -1.0 2.0
   49    58    67    68   0.21250  1.0 3.0
   50    49   -46    39   0.15000  1.0 3.0
   50    49    46    47   0.15000  1.0 3.0
   50    49    46    51   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.15000  1.0 3.0
   50    49    58    67   0.23400  1.0 3.0
   46    39   -44    45   3.00000 -1.0 2.0
   46    39   -44    49   3.00000 -1.0 2.0
   46    49    58    59   0.00000  1.0 1.0
   46    49    58    63   0.04050  1.0 1.0
   46    49    58    63   0.63700 -1.0 2.0
   46    49    58    63   0.17650  1.0 3.0
   46    49    58    67   0.86500  1.0 1.0
   46    49    58    67  -0.17500 -1.0 2.0
   46    49    58    67   0.20800  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   51    33   -37    39  -0.93550  1.0 1.0
   51    33   -37    39   0.38900 -1.0 2.0
   51    33   -37    39   0.16950  1.0 3.0
   51    33    37    40   0.09850  1.0 1.0
   51    33    37    40   0.15250 -1.0 2.0
   51    33    37    40  -0.50650  1.0 3.0
   51    33    38    43  -0.35400  1.0 1.0
   51    33    38    43  -0.24450 -1.0 2.0
   51    33    38    43   0.44000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   58    49   -46    39   0.43900  1.0 1.0
   58    49   -46    39   0.49100 -1.0 2.0
   58    49   -46    39   0.28400  1.0 3.0
   58    49    46    47   0.15000  1.0 3.0
   58    49    46    51   0.56750  1.0 1.0
   58    49    46    51  -0.07550 -1.0 2.0
   58    49    46    51   0.20000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    67    68   0.19450  1.0 3.0
   63    58    67    68  -0.11600  1.0 1.0
   63    58    67    68  -0.09450 -1.0 2.0
   63    58    67    68   0.21250  1.0 3.0
   67    58    63    64   0.23400  1.0 3.0
   67    58    63    65   0.23400  1.0 3.0
   67    58    63    66   0.23400  1.0 3.0
   40    37    39    44   0.00000  1.0 1.0
   40    37    39    46   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    51    46   0.44750  1.0 1.0
   38    33    51    46  -0.17800 -1.0 2.0
   38    33    51    46   0.20200  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    54   0.44750  1.0 1.0
   38    33    51    54  -0.17800 -1.0 2.0
   38    33    51    54   0.20200  1.0 3.0
   38    43    48    53   3.62500 -1.0 2.0
   38    43    69    60   3.62500 -1.0 2.0
   43    48   -53    60   2.40000 -1.0 2.0
   43    48    53    62   3.62500 -1.0 2.0
   48    43   -69    60   3.62500 -1.0 2.0
   48    53    60    61   3.62500 -1.0 2.0
   48    53   -60    69   3.62500 -1.0 2.0
   48    53    62    70   0.04300  1.0 1.0
   48    53    62    70   0.58850 -1.0 2.0
   48    53    62    70   0.22750  1.0 3.0
   48    53    62    80   0.04300  1.0 1.0
   48    53    62    80   0.58850 -1.0 2.0
   48    53    62    80   0.22750  1.0 3.0
   53    60   -69    43   3.62500 -1.0 2.0
   53    62    70    71   3.62500 -1.0 2.0
   53    62    70    72   3.62500 -1.0 2.0
   53    62    80    75   3.62500 -1.0 2.0
   53    62    80    81   3.62500 -1.0 2.0
   60    53    62    70  -0.19450  1.0 1.0
   60    53    62    70   0.63300 -1.0 2.0
   60    53    62    70   0.07450  1.0 3.0
   60    53    62    80  -0.19450  1.0 1.0
   60    53    62    80   0.63300 -1.0 2.0
   60    53    62    80   0.07450  1.0 3.0
   61    60    69    43   3.62500 -1.0 2.0
   69    43   -48    53   3.62500 -1.0 2.0
   62    53    60    61   3.62500 -1.0 2.0
   62    53    60    69   3.62500 -1.0 2.0
   62    70    72    73   3.62500 -1.0 2.0
   62    70    72    74   3.62500 -1.0 2.0
   70    62    80    75   3.62500 -1.0 2.0
   70    62    80    81   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    77   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    80   3.62500 -1.0 2.0
   72    74    77    78   0.00000  1.0 1.0
   72    74    77    79   0.00000  1.0 1.0
   72    74    77    82   0.00000  1.0 1.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75   -80    62   3.62500 -1.0 2.0
   74    75    80    81   3.62500 -1.0 2.0
   74    77    82    83   0.30150 -1.0 2.0
   74    77    82    84   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    82   0.00000  1.0 1.0
   76    75    80    62   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   80    62    70    71   3.62500 -1.0 2.0
   80    62   -70    72   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    80   3.62500 -1.0 2.0
   77    82    84    85   2.45000 -1.0 2.0
   77    82    84    86   2.45000 -1.0 2.0
   78    77    82    83   0.00000  1.0 1.0
   78    77    82    84   0.00000  1.0 1.0
   79    77    82    83   0.00000  1.0 1.0
   79    77    82    84   0.00000  1.0 1.0
   83    82    84    85   2.45000 -1.0 2.0
   83    82    84    86   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   46    44    39    37   1.00000 -1.0 2.0
   39    49    44    45  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   48    69    43    38   4.00000 -1.0 2.0
   60    62    53    48   4.00000 -1.0 2.0
   69    61    60    53   1.10000 -1.0 2.0
   70    80    62    53   4.00000 -1.0 2.0
   72    71    70    62   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   80    76    75    74   1.10000 -1.0 2.0
   75    81    80    62   1.10000 -1.0 2.0
   77    84    82    83  10.50000 -1.0 2.0
   86    82    84    85   1.00000 -1.0 2.0
END
