* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    28.85965    93.65274   -21.11186
    2     1 S   H    _HN1     2     1.02940    95.04984    -0.03956
    3     1 S   H    _H1_     3     1.02830    33.94242   113.46122
    4     1 S   H    _H2_     4     1.02789    82.43806  -107.84859
    5     1 S   CT   _CA1     5     1.50020   143.29827   134.94662
    6     5 S   HC   _HA1     6     1.09562   105.35954    46.75101
    7     5 S   CO3  _C1_     7     1.53838   112.50524   -73.82015
    8     7 S   O2Z  _O11     8     1.26487   115.18163   -44.79586
    9     7 S   O2Z  _O12     9     1.26262   115.03581   135.21785
   10     5 S   CT   _CB1    10     1.53105   107.50092   164.93830
   11    10 S   HC   HB11    11     1.09808   109.81551   -49.54166
   12    10 S   HC   HB12    12     1.09833   110.21605    67.18441
   13    10 S   CT   _CG1    13     1.52909   112.34136  -170.59560
   14    13 S   HC   HG11    14     1.09523   110.13679   -56.04750
   15    13 S   HC   HG12    15     1.09607   110.25728    63.11195
   16    13 S   C    _CD1    16     1.51639   112.35976  -176.00272
   17    16 S   O    _OE1    17     1.22722   123.36154   -10.43200
   18    16 S   N    _N2_    18     1.38498   111.43126   169.48625
   19    18 S   H    _HN2    19     1.01969   118.88574     1.79624
   20    18 S   CT1  _CA2    20     1.46192   123.67554  -172.34999
   21    20 S   HC   _HA2    21     1.09734   109.10165     7.07185
   22    20 S   C    _C2_    22     1.53346   109.71155  -109.31156
   23    22 S   O    _O2_    23     1.23102   122.18578  -148.64278
   24    20 S   CT   _CB2    32     1.53519   110.53743   128.05260
   25    24 S   HC   HB21    33     1.09519   109.13064    63.54295
   26    24 S   HC   HB22    34     1.09453   110.88917  -178.08031
   27    22 S   N    _N3_    24     1.38345   113.90895    39.07888
   28    27 S   H    _HN3    25     1.01588   119.56729    -4.45865
   29    24 S   S    _SG2    35     1.82948   110.73076   -57.72787
   30    27 S   CT   _CA3    26     1.45284   122.95313   176.65865
   31    30 S   HC   HA31    27     1.09565   107.58297   -60.86555
   32    30 S   HC   HA32    28     1.09563   107.82691    55.45189
   33    29 S   CT   _C7_    36     1.84183   100.13957   148.90267
   34    33 S   HC   _H6_    37     1.09584   106.49382   -23.34070
   35    30 S   CO3  _C3_    29     1.52904   114.34251   177.31496
   36    35 S   O2Z  _O31    30     1.26342   116.14978    -3.37603
   37    35 S   O2Z  _O32    31     1.26461   114.37930   176.69660
   38    33 S   CT   _C6_    38     1.54316   111.11240    94.76136
   39    38 S   HC   _H5_    39     1.09344   108.72425   -41.80715
   40    38 S   CT   _C5_    40     1.54277   114.47577    80.91832
   41    40 S   HC   _H4_    41     1.09563   108.05709   164.75540
   42    38 S   OS   _O41    77     1.43202   106.90342  -157.36386
   43    40 S   CT   _C4_    42     1.54376   113.90340    45.91216
   44    43 S   HC   _H3_    43     1.09663   107.86726  -170.24607
   45    40 S   OS   _O45    67     1.42731   108.69317   -77.22777
   46    42 S   P1   _P3_    78     1.61479   119.97104   148.77998
   47    46 S   O2Z  _O42    79     1.49878   116.25010    68.36340
   48    43 S   CT   _C9_    44     1.53739   112.47995   -49.81221
   49    48 S   HC   _H8_    45     1.09389   110.03099   173.39574
   50    43 S   OS   _O52    61     1.42888   107.01527    72.34851
   51    45 S   P2   _P4_    68     1.63441   119.30117  -120.23707
   52    51 S   O2Z  _O47    69     1.51215   108.57162   175.04896
   53    51 S   O2Z  _O46    70     1.51376   108.65849   -52.41784
   54    46 S   OS   _O43    80     1.61449   105.05669   -59.65457
   55    54 S   HO   _H12    81     0.98345   117.18080    85.70275
   56    46 S   OS   _O44    82     1.61544   103.20992  -166.78016
   57    56 S   HO   _H13    83     0.97882   117.36335  -170.04635
   58    33 S   CT   _C8_    46     1.54318   113.12596  -139.25593
   59    58 S   HC   _H7_    47     1.09737   107.29572   168.80586
   60    48 S   OS   _O33    54     1.42566   108.36748   -68.91381
   61    50 S   P2   _P6_    62     1.62927   121.83586   161.08476
   62    61 S   O2Z  _O55    63     1.51224   108.37334  -162.22292
   63    61 S   O2Z  _O53    64     1.51095   110.67945   -27.69613
   64    51 S   OS   _O48    71     1.62699    99.64674    60.83168
   65    58 S   OS   _O37    48     1.42553   112.71232    52.00296
   66    60 S   P1   _P1_    55     1.61345   120.91453  -137.37827
   67    66 S   O2Z  _O34    56     1.49936   115.84578    43.89631
   68    61 S   OS   _O54    65     1.63001    99.23374    86.28309
   69    68 S   HO   _H15    66     0.97908   116.34247    78.99200
   70    64 S   P2   _P5_    72     1.62259   131.97992    84.66461
   71    70 S   O2Z  _O51    73     1.51108   109.41947    84.35449
   72    70 S   O2Z  _O49    74     1.50983   110.35987   -51.64155
   73    65 S   P2   _P2_    49     1.63021   120.61655    71.29096
   74    73 S   O2Z  _O40    50     1.51223   109.37973   -95.63138
   75    73 S   O2Z  _O38    51     1.51200   110.19250    39.58059
   76    66 S   OS   _O35    57     1.61091   104.70636   -83.99573
   77    76 S   HO   _H9_    58     0.98271   118.61178   171.41263
   78    66 S   OS   _O36    59     1.61499   103.09134   169.10581
   79    78 S   HO   _H10    60     0.97863   117.64228  -170.01664
   80    70 S   OS   _O50    75     1.63284    98.12068  -163.90649
   81    80 S   HO   _H14    76     0.97938   115.65279   -78.87414
   82    73 S   OS   _O39    52     1.62997    98.23297   152.15615
   83    82 S   HO   _H11    53     0.98273   117.78503    76.68593
  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
  16   8   2   1   1  17   7  16   7   9  15   7   7   5   4  12
   6   7   7   3   2   3   1   1   1   8   3   7   4   3   2   5
   5   5   4   1   1   4   3   2   4   3   2   3   1   1   1   1
   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    58    59    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    58    59    65    73    60    45    42    46  
   38    39    40    48    58    59    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    48    58    59    65    50    45    51    42    46    47    54    56  
   40    41    43    58    45    42    46  
   41    43    44    48    49    58    60    50    61    45    51    52    53    64    42    46  
   43    44    48    50    45    51    42  
   46    47    54    55    56    57    43    45    58  
   44    48    49    58    59    65    60    66    50    61    62    63    68    45    51  
   48    49    58    60    50    61    45  
   51    52    53    64    70    48    50  
   47    54    55    56    57  
   54    55    56    57  
   49    58    59    65    73    60    66    67    76    78    50    61  
   58    59    65    60    66    50  
   61    62    63    68    69    58    60  
   52    53    64    70    71    72    80  
   53    64    70  
   64    70  
   55    56    57  
   56  
   57  
    0  
   59    65    73    74    75    82    60    66  
   65    73    60  
   66    67    76    77    78    79    65  
   62    63    68    69  
   63    68    69  
   68    69  
   70    71    72    80    81  
   73    74    75    82    83  
   67    76    77    78    79  
   76    77    78    79  
   69  
    0  
   71    72    80    81  
   72    80    81  
   80    81  
   74    75    82    83  
   75    82    83  
   82    83  
   77    78    79  
   78  
   79  
    0  
   81  
    0  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   65   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   74   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   75   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    58   268.000  1.529
   48    60   320.000  1.410
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    73   230.000  1.697
   73    74   525.000  1.480
   73    75   525.000  1.480
   73    82   230.000  1.697
   82    83   553.000  0.945
   60    66   405.000  1.623
   66    67   675.000  1.490
   66    76   405.000  1.623
   66    78   405.000  1.623
   76    77   553.000  0.945
   78    79   553.000  0.945
   50    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    68   230.000  1.697
   68    69   553.000  0.945
   45    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    64   230.000  1.697
   64    70   230.000  1.697
   70    71   525.000  1.480
   70    72   525.000  1.480
   70    80   230.000  1.697
   80    81   553.000  0.945
   42    46   405.000  1.623
   46    47   675.000  1.490
   46    54   405.000  1.623
   46    56   405.000  1.623
   54    55   553.000  0.945
   56    57   553.000  0.945
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    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    58.35000  112.70000
   40    43    50    50.00000  109.50000
   40    45    51   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    58    58.35000  112.70000
   43    48    60    50.00000  109.50000
   43    50    61   100.00000  120.50000
   48    43    44    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    65    50.00000  109.50000
   48    60    66    75.00000  119.24600
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    65    73   100.00000  120.50000
   65    58    59    35.00000  109.50000
   65    73    74   100.00000  108.23000
   65    73    75   100.00000  108.23000
   65    73    82    45.00000  102.60000
   73    82    83    45.00000  108.50000
   75    73    74   140.00000  119.90000
   82    73    74   100.00000  108.23000
   82    73    75   100.00000  108.23000
   60    48    49    35.00000  109.50000
   60    48    58    50.00000  109.50000
   60    66    67   100.00000  115.86100
   60    66    76   120.00000  102.38000
   60    66    78   120.00000  102.38000
   66    76    77    50.00000  113.86100
   66    78    79    50.00000  113.86100
   76    66    67   100.00000  115.86100
   78    66    67   100.00000  115.86100
   78    66    76   120.00000  102.38000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   50    61    62   100.00000  108.23000
   50    61    63   100.00000  108.23000
   50    61    68    45.00000  102.60000
   61    68    69    45.00000  108.50000
   63    61    62   140.00000  119.90000
   68    61    62   100.00000  108.23000
   68    61    63   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    51    52   100.00000  108.23000
   45    51    53   100.00000  108.23000
   45    51    64    45.00000  102.60000
   51    64    70    50.00000  132.62000
   53    51    52   140.00000  119.90000
   64    51    52   100.00000  108.23000
   64    51    53   100.00000  108.23000
   64    70    71   100.00000  108.23000
   64    70    72   100.00000  108.23000
   64    70    80    45.00000  102.60000
   70    80    81    45.00000  108.50000
   72    70    71   140.00000  119.90000
   80    70    71   100.00000  108.23000
   80    70    72   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  115.86100
   42    46    54   120.00000  102.38000
   42    46    56   120.00000  102.38000
   46    54    55    50.00000  113.86100
   46    56    57    50.00000  113.86100
   54    46    47   100.00000  115.86100
   56    46    47   100.00000  115.86100
   56    46    54   120.00000  102.38000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    65   0.56750  1.0 1.0
   29    33    58    65  -0.07550 -1.0 2.0
   29    33    58    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    65    73  -2.65550  1.0 1.0
   33    58    65    73  -0.22350 -1.0 2.0
   33    58    65    73   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    65   0.23400  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    65   0.62750  1.0 1.0
   38    33    58    65  -0.30950 -1.0 2.0
   38    33    58    65   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    48   0.56750  1.0 1.0
   38    40   -43    48  -0.07550 -1.0 2.0
   38    40   -43    48   0.20000  1.0 3.0
   38    40    43    50   0.62750  1.0 1.0
   38    40    43    50  -0.30950 -1.0 2.0
   38    40    43    50   0.27300  1.0 3.0
   38    40    45    51  -2.65550  1.0 1.0
   38    40    45    51  -0.22350 -1.0 2.0
   38    40    45    51   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    54   0.91800  1.0 1.0
   38    42    46    54   0.22900 -1.0 2.0
   38    42    46    54   0.32050  1.0 3.0
   38    42    46    56   0.91800  1.0 1.0
   38    42    46    56   0.22900 -1.0 2.0
   38    42    46    56   0.32050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    58   0.56750  1.0 1.0
   40    43    48    58  -0.07550 -1.0 2.0
   40    43    48    58   0.20000  1.0 3.0
   40    43    48    60   0.62750  1.0 1.0
   40    43    48    60  -0.30950 -1.0 2.0
   40    43    48    60   0.27300  1.0 3.0
   40    43    50    61  -2.65550  1.0 1.0
   40    43    50    61  -0.22350 -1.0 2.0
   40    43    50    61   0.24150  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    64   0.05050  1.0 1.0
   40    45    51    64  -1.30700 -1.0 2.0
   40    45    51    64   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    51   0.03000  1.0 3.0
   43    40    45    51  -2.65550  1.0 1.0
   43    40    45    51  -0.22350 -1.0 2.0
   43    40    45    51   0.24150  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    65   0.62750  1.0 1.0
   43    48    58    65  -0.30950 -1.0 2.0
   43    48    58    65   0.27300  1.0 3.0
   43    48    60    66  -2.65550  1.0 1.0
   43    48    60    66  -0.22350 -1.0 2.0
   43    48    60    66   0.24150  1.0 3.0
   43    50    61    62   0.00000  1.0 1.0
   43    50    61    63   0.00000  1.0 1.0
   43    50    61    68   0.05050  1.0 1.0
   43    50    61    68  -1.30700 -1.0 2.0
   43    50    61    68   0.91550  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   44    43    48    60   0.23400  1.0 3.0
   44    43    50    61   0.03000  1.0 3.0
   48    43    50    61  -2.65550  1.0 1.0
   48    43    50    61  -0.22350 -1.0 2.0
   48    43    50    61   0.24150  1.0 3.0
   48    58    65    73  -2.65550  1.0 1.0
   48    58    65    73  -0.22350 -1.0 2.0
   48    58    65    73   0.24150  1.0 3.0
   48    60    66    67   0.00000  1.0 1.0
   48    60    66    76   0.91800  1.0 1.0
   48    60    66    76   0.22900 -1.0 2.0
   48    60    66    76   0.32050  1.0 3.0
   48    60    66    78   0.91800  1.0 1.0
   48    60    66    78   0.22900 -1.0 2.0
   48    60    66    78   0.32050  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    65   0.23400  1.0 3.0
   49    48    60    66   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    48    60    66  -2.65550  1.0 1.0
   58    48    60    66  -0.22350 -1.0 2.0
   58    48    60    66   0.24150  1.0 3.0
   58    65    73    74   0.00000  1.0 1.0
   58    65    73    75   0.00000  1.0 1.0
   58    65    73    82   0.05050  1.0 1.0
   58    65    73    82  -1.30700 -1.0 2.0
   58    65    73    82   0.91550  1.0 3.0
   59    58    65    73   0.03000  1.0 3.0
   65    73    82    83   0.00000  1.0 1.0
   74    73    82    83   0.00000  1.0 1.0
   75    73    82    83   0.00000  1.0 1.0
   60    48    58    33   0.62750  1.0 1.0
   60    48    58    33  -0.30950 -1.0 2.0
   60    48    58    33   0.27300  1.0 3.0
   60    48    58    59   0.23400  1.0 3.0
   60    48    58    65   1.11900  1.0 1.0
   60    48    58    65  -1.16350 -1.0 2.0
   60    48    58    65  -0.34150  1.0 3.0
   60    66    76    77  -0.22900  1.0 1.0
   60    66    76    77   0.09450 -1.0 2.0
   60    66    76    77  -0.07800  1.0 3.0
   60    66    78    79  -0.22900  1.0 1.0
   60    66    78    79   0.09450 -1.0 2.0
   60    66    78    79  -0.07800  1.0 3.0
   67    66    76    77   0.00000  1.0 1.0
   67    66    78    79   0.00000  1.0 1.0
   76    66    78    79  -0.22900  1.0 1.0
   76    66    78    79   0.09450 -1.0 2.0
   76    66    78    79  -0.07800  1.0 3.0
   78    66    76    77  -0.22900  1.0 1.0
   78    66    76    77   0.09450 -1.0 2.0
   78    66    76    77  -0.07800  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    58   0.62750  1.0 1.0
   50    43    48    58  -0.30950 -1.0 2.0
   50    43    48    58   0.27300  1.0 3.0
   50    43    48    60   1.11900  1.0 1.0
   50    43    48    60  -1.16350 -1.0 2.0
   50    43    48    60  -0.34150  1.0 3.0
   50    61    68    69   0.00000  1.0 1.0
   62    61    68    69   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    48   0.62750  1.0 1.0
   45    40    43    48  -0.30950 -1.0 2.0
   45    40    43    48   0.27300  1.0 3.0
   45    40    43    50   1.11900  1.0 1.0
   45    40    43    50  -1.16350 -1.0 2.0
   45    40    43    50  -0.34150  1.0 3.0
   45    51    64    70   0.15000  1.0 3.0
   51    64    70    71   0.50000  1.0 3.0
   51    64    70    72   0.50000  1.0 3.0
   51    64    70    80   0.15000  1.0 3.0
   52    51    64    70   0.50000  1.0 3.0
   53    51    64    70   0.50000  1.0 3.0
   64    70    80    81   0.00000  1.0 1.0
   71    70    80    81   0.00000  1.0 1.0
   72    70    80    81   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    54    55  -0.22900  1.0 1.0
   42    46    54    55   0.09450 -1.0 2.0
   42    46    54    55  -0.07800  1.0 3.0
   42    46    56    57  -0.22900  1.0 1.0
   42    46    56    57   0.09450 -1.0 2.0
   42    46    56    57  -0.07800  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    56    57   0.00000  1.0 1.0
   54    46    56    57  -0.22900  1.0 1.0
   54    46    56    57   0.09450 -1.0 2.0
   54    46    56    57  -0.07800  1.0 3.0
   56    46    54    55  -0.22900  1.0 1.0
   56    46    54    55   0.09450 -1.0 2.0
   56    46    54    55  -0.07800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
