* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    148    239     426
    1     0 S   NP   _N1_     1    28.54781    94.49281   -23.20609
    2     1 S   H    _HN1     2     1.02959    83.93174    31.11875
    3     1 S   H    _H1_     3     1.02835    27.05730  -179.90721
    4     1 S   H    _H2_     4     1.02780   103.18174   -76.32013
    5     1 S   CT   _CA1     5     1.50116   133.94917   143.72302
    6     5 S   HC   _HA1     6     1.09577   105.22805    75.93267
    7     5 S   CO3  _C1_     7     1.53777   112.35591   -44.26445
    8     7 S   O2Z  _O11     8     1.26358   115.00789   -45.06323
    9     7 S   O2Z  _O12     9     1.26237   114.90753   134.07417
   10     5 S   CT   _CB1    10     1.53090   107.42028  -166.20377
   11    10 S   HC   HB11    11     1.09827   109.30320   -51.04946
   12    10 S   HC   HB12    12     1.09818   110.43922    65.48639
   13    10 S   CT   _CG1    13     1.53013   112.68010  -172.15127
   14    13 S   HC   HG11    14     1.09596   110.45858   -64.23000
   15    13 S   HC   HG12    15     1.09655   109.97144    54.99757
   16    13 S   C    _CD1    16     1.51815   112.28571   175.32324
   17    16 S   O    _OE1    17     1.22750   123.26256    -1.10464
   18    16 S   N    _N2_    18     1.38634   111.66388   179.07677
   19    18 S   H    _HN2    19     1.01594   119.20648     0.52414
   20    18 S   CT1  _CA2    20     1.46189   123.32149   179.62570
   21    20 S   HC   _HA2    21     1.09779   109.11284    -5.73460
   22    20 S   C    _C2_    22     1.53532   109.25302  -120.81290
   23    22 S   O    _O2_    23     1.23025   122.14299  -152.34583
   24    20 S   CT   _CB2    32     1.53565   111.55918   115.78723
   25    24 S   HC   HB21    33     1.09419   109.72953    53.85428
   26    24 S   HC   HB22    34     1.09252   109.57518   173.00557
   27    22 S   N    _N3_    24     1.38496   113.60440    35.77453
   28    27 S   H    _HN3    25     1.01483   118.89372    -1.40597
   29    24 S   S    _SG2    35     1.83006   110.64192   -65.89830
   30    27 S   CT   _CA3    26     1.45440   123.49918   173.97448
   31    30 S   HC   HA31    27     1.09519   109.26369    24.26559
   32    30 S   HC   HA32    28     1.09491   107.12661   141.34970
   33    29 S   CT   _C11    36     1.86642   102.51263  -161.54989
   34    30 S   CO3  _C3_    29     1.52957   113.08671   -99.16762
   35    34 S   O2Z  _O31    30     1.26414   115.45909   -42.07635
   36    34 S   O2Z  _O32    31     1.26361   114.96266   138.82779
   37    33 S   CM   _C9_    37     1.52431   108.98075   -61.67923
   38    33 S   S    _S1_    62     1.84019   111.35107    64.52187
   39    37 S   N4   _N4_    38     1.36179   108.26465   -88.76261
   40    37 S   CMA  _C10    59     1.51325   126.16030   109.89741
   41    40 S   OM   _O34    60     1.26196   120.38099   -98.57721
   42    40 S   OM   _O35    61     1.26374   120.96869    82.35878
   43    38 S   CT   _C12    63     1.82047   102.55265    58.76482
   44    43 S   HC   _H6_    64     1.09548   110.78505    27.57400
   45    39 S   C4   _C8_    39     1.34741   135.79724  -140.88928
   46    45 S   O    _O33    40     1.20906   134.41488   -37.62165
   47    39 S   C4T  _C6_    43     1.45464   114.45328    -4.84485
   48    47 S   HC   _H4_    44     1.09931   110.89957   100.09971
   49    43 S   CT   _C13    65     1.55633   112.81901   -95.19176
   50    49 S   HC   _H11    66     1.09357   114.10771   -26.10617
   51    49 S   HC   _H12    67     1.09204   113.07242   102.93296
   52    43 S   CT   _C16    75     1.56314   110.51477   146.68095
   53    52 S   HC   _H15    76     1.09341   111.76940   -99.35022
   54    52 S   HC   _H16    77     1.09466   113.64621    26.31085
   55    45 S   C4T  _C7_    41     1.56076    89.78249   137.02802
   56    55 S   HC   _H5_    42     1.09820   110.58987  -111.10009
   57    33 S   CT   _C5_    45     1.58655   107.65311  -169.71837
   58    57 S   HC   _H3_    46     1.09779   111.15087   -36.53117
   59    49 S   N5P  _N5_    68     1.44569   101.57415  -141.04477
   60    57 S   CT   _C4_    47     1.53355   116.29350  -159.15866
   61    60 S   HC   _H8_    48     1.09481   112.21697   -53.52020
   62    60 S   HC   _H9_    49     1.09569   110.26766  -173.41879
   63    60 S   HC   _H10    50     1.09357   111.64312    68.31078
   64    55 S   CT   _C17    51     1.52521   115.64031   123.07716
   65    64 S   HC   _H7_    52     1.09572   109.67792    66.82539
   66    59 S   C5X  _C14    69     1.35729   137.40064  -166.24094
   67    66 S   HA   _H13    70     1.08070   124.69454    -0.55883
   68    64 S   CT   _C18    53     1.52177   110.23092  -172.29920
   69    68 S   HC   _H17    54     1.09562   111.11361    62.29357
   70    68 S   HC   _H18    55     1.09442   111.32072   -58.46593
   71    68 S   HC   _H19    56     1.09515   110.54546  -179.36820
   72    64 S   OH   _O36    57     1.42393   110.02713   -51.73603
   73    72 S   HO   _H20    58     0.97231   107.65364   178.61323
   74    66 S   N5B  _N6_    71     1.34732   108.89246   179.45249
   75    74 S   C5X  _C15    72     1.41041   105.31102    -0.10468
   76    75 S   HA   _H14    73     1.07822   123.66395  -179.90109
   77    59 S   N5P  _N7_    74     1.34649   112.41084    13.01307
  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
  20   2   1   1  14  16  13   5   1   1  12   8  10   4  13   6
  11   5   4   8   4   3  12   5   6   4   6   3   2   1   1   7
   6   5   3   5   3   2   1   1   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    57    58    60    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    55    47    48    57    58    60    61    62    63    40    41    42    38    43    44    49    52  
   35    36  
   36  
    0  
   39    45    46    55    47    48    57    58    60    40    41    42    38    43  
   43    44    49    50    51    59    77    52    53    54    39    40    47    57    58    60  
   45    46    55    56    47    48    57    58    60    64    40    41    42  
   41    42    45    47    57  
   42  
    0  
   44    49    50    51    59    66    75    77    52    53    54    57  
   49    50    51    59    77    52    53    54  
   46    55    56    47    48    57    64    65    68    72  
   55    56    47    64  
   48    57    58    60    61    62    63    64    65    68    72    55    56  
   57    58    60    64    55    56  
   50    51    59    66    67    74    75    77    52    53    54  
   51    59    66    77    52  
   59    66    77    52  
   53    54    59    66    74    75    76    77  
   54    59    75    77  
   59    75    77  
   56    57    58    60    64    65    68    69    70    71    72    73  
   57    64    65    68    72  
   58    60    61    62    63    64  
   60    61    62    63  
   66    67    74    75    76    77  
   61    62    63  
   62    63  
   63  
    0  
   65    68    69    70    71    72    73  
   68    69    70    71    72    73  
   67    74    75    76    77  
   74    75    77  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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  -0.335000   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   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700   0.000900   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.470000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.164900   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2800   0.1700  -0.516500   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5500   0.0700   0.470200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.165000   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700   0.000500   1.9750   1.7500   0.001000000  -0.511443539
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    57   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    55   250.000  1.540
   55    56   340.000  1.090
   55    47   268.000  1.529
   55    64   260.000  1.519
   47    48   340.000  1.090
   47    57   260.000  1.519
   57    58   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   222.000  1.810
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   300.000  1.456
   59    66   455.000  1.369
   59    77   275.000  1.382
   66    67   367.000  1.080
   66    74   580.000  1.314
   74    75   580.000  1.314
   75    76   367.000  1.080
   75    77   455.000  1.369
   77    52   300.000  1.456
   52    53   340.000  1.090
   52    54   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    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    57    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    57    47    70.00000  112.98000
   33    57    58    37.50000  110.70000
   33    57    60    58.35000  112.70000
   33    38    43    62.00000   98.90000
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    45    46    75.00000  131.60000
   39    45    55    95.00000   92.72400
   39    47    55   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    57    80.00000  110.05700
   45    55    56    40.00000  113.37500
   45    55    47   100.00000   86.36000
   45    55    64    63.00000  111.10000
   55    45    46    60.00000  136.58000
   55    47    48    37.50000  110.70000
   55    47    57    65.00000  119.52000
   55    64    65    45.00000  111.22300
   55    64    68    70.00000  112.98000
   55    64    72    50.00000  109.50000
   47    39    45   100.00000   93.00000
   47    55    56    37.50000  110.70000
   47    57    58    45.00000  111.22300
   47    57    60    70.00000  112.98000
   57    33    37    70.00000  112.02700
   57    47    48    45.00000  112.72800
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   60    57    58    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    56    45.00000  112.72800
   64    55    47    65.00000  119.52000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   64    72    73    55.00000  108.50000
   68    64    65    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    64    65    35.00000  109.50000
   72    64    68    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    57    75.00000  111.63000
   38    43    44    35.00000  109.50000
   38    43    49    75.00000  111.63000
   38    43    52    75.00000  111.63000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    59    75.00000  111.19500
   43    52    77    75.00000  111.19500
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   49    43    44    37.50000  110.70000
   49    59    66    60.00000  126.76000
   49    59    77    75.00000  116.00000
   51    49    50    33.00000  107.80000
   59    49    50    50.00000  107.70000
   59    49    51    50.00000  107.70000
   59    66    67    40.00000  122.05800
   59    66    74    95.00000  110.94000
   59    77    75    80.00000  120.70000
   59    77    52    75.00000  116.00000
   66    74    75    90.00000  108.12000
   74    66    67    40.00000  126.34000
   74    75    76    40.00000  126.34000
   74    75    77    95.00000  110.94000
   75    77    52    60.00000  126.76000
   77    59    66    80.00000  120.70000
   77    75    76    40.00000  122.05800
   77    52    53    50.00000  107.70000
   77    52    54    50.00000  107.70000
   52    43    44    37.50000  110.70000
   52    43    49    58.35000  112.70000
   54    52    53    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    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    57    47   0.44750  1.0 1.0
   29    33    57    47  -0.17800 -1.0 2.0
   29    33    57    47   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    60   0.44750  1.0 1.0
   29    33    57    60  -0.17800 -1.0 2.0
   29    33    57    60   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    45   0.00000  1.0 1.0
   33    37   -39    47   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    57    60    61   0.15000  1.0 3.0
   33    57    60    62   0.15000  1.0 3.0
   33    57    60    63   0.15000  1.0 3.0
   33    38    43    44   0.32350  1.0 3.0
   33    38    43    49   0.01700  1.0 1.0
   33    38    43    49  -0.23550 -1.0 2.0
   33    38    43    49   0.21350  1.0 3.0
   33    38    43    52   0.01700  1.0 1.0
   33    38    43    52  -0.23550 -1.0 2.0
   33    38    43    52   0.21350  1.0 3.0
   37    33   -57    47   0.34400  1.0 1.0
   37    33   -57    47   0.09450 -1.0 2.0
   37    33   -57    47   0.11100  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    60   0.34400  1.0 1.0
   37    33    57    60   0.09450 -1.0 2.0
   37    33    57    60   0.11100  1.0 3.0
   37    33    38    43  -0.62250  1.0 1.0
   37    33    38    43  -0.38450 -1.0 2.0
   37    33    38    43   0.81900  1.0 3.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    55   3.00000 -1.0 2.0
   37    39   -47    55   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    57   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    45    55    56   0.00000  1.0 1.0
   39    45   -55    47   3.00000 -1.0 2.0
   39    45    55    64   1.39750  1.0 1.0
   39    45    55    64  -0.07950 -1.0 2.0
   39    45    55    64  -0.18750  1.0 3.0
   39    47   -57    33   0.43900  1.0 1.0
   39    47   -57    33   0.49100 -1.0 2.0
   39    47   -57    33   0.28400  1.0 3.0
   39    47    57    58   0.15000  1.0 3.0
   39    47    57    60   0.43900  1.0 1.0
   39    47    57    60   0.49100 -1.0 2.0
   39    47    57    60   0.28400  1.0 3.0
   45    39   -47    55   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    57   0.00000  1.0 1.0
   45    55   -47    39   3.00000 -1.0 2.0
   45    55   -47    48   0.15000  1.0 3.0
   45    55   -47    57  -0.95700  1.0 1.0
   45    55   -47    57  -0.18200 -1.0 2.0
   45    55   -47    57   0.29450  1.0 3.0
   45    55    64    65  -0.11250  1.0 3.0
   45    55    64    68  -0.95700  1.0 1.0
   45    55    64    68  -0.18200 -1.0 2.0
   45    55    64    68   0.29450  1.0 3.0
   45    55    64    72  -0.09450  1.0 1.0
   45    55    64    72  -1.12950 -1.0 2.0
   45    55    64    72   0.54000  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    47  -0.11250  1.0 1.0
   46    45    55    47   0.11400 -1.0 2.0
   46    45    55    47  -0.28950  1.0 3.0
   46    45    55    64   0.30150 -1.0 2.0
   55    47    57    33   0.04050  1.0 1.0
   55    47    57    33   0.63700 -1.0 2.0
   55    47    57    33   0.17650  1.0 3.0
   55    47    57    58   0.00000  1.0 1.0
   55    47    57    60   0.04050  1.0 1.0
   55    47    57    60   0.63700 -1.0 2.0
   55    47    57    60   0.17650  1.0 3.0
   55    64    68    69   0.15000  1.0 3.0
   55    64    68    70   0.15000  1.0 3.0
   55    64    68    71   0.15000  1.0 3.0
   55    64    72    73  -0.11600  1.0 1.0
   55    64    72    73  -0.09450 -1.0 2.0
   55    64    72    73   0.21250  1.0 3.0
   56    55   -47    39   0.15000  1.0 3.0
   56    55    47    48   0.15000  1.0 3.0
   56    55    47    57   0.15000  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    68   0.15000  1.0 3.0
   56    55    64    72   0.23400  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    55   3.00000 -1.0 2.0
   47    55    64    65   0.00000  1.0 1.0
   47    55    64    68   0.04050  1.0 1.0
   47    55    64    68   0.63700 -1.0 2.0
   47    55    64    68   0.17650  1.0 3.0
   47    55    64    72   0.86500  1.0 1.0
   47    55    64    72  -0.17500 -1.0 2.0
   47    55    64    72   0.20800  1.0 3.0
   47    57    60    61   0.15000  1.0 3.0
   47    57    60    62   0.15000  1.0 3.0
   47    57    60    63   0.15000  1.0 3.0
   48    47    57    33   0.15000  1.0 3.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    60   0.15000  1.0 3.0
   57    33   -37    39  -0.93550  1.0 1.0
   57    33   -37    39   0.38900 -1.0 2.0
   57    33   -37    39   0.16950  1.0 3.0
   57    33    37    40   0.09850  1.0 1.0
   57    33    37    40   0.15250 -1.0 2.0
   57    33    37    40  -0.50650  1.0 3.0
   57    33    38    43   0.01700  1.0 1.0
   57    33    38    43  -0.23550 -1.0 2.0
   57    33    38    43   0.21350  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   64    55   -47    39   0.43900  1.0 1.0
   64    55   -47    39   0.49100 -1.0 2.0
   64    55   -47    39   0.28400  1.0 3.0
   64    55    47    48   0.15000  1.0 3.0
   64    55    47    57   0.56750  1.0 1.0
   64    55    47    57  -0.07550 -1.0 2.0
   64    55    47    57   0.20000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   68    64    72    73  -0.11600  1.0 1.0
   68    64    72    73  -0.09450 -1.0 2.0
   68    64    72    73   0.21250  1.0 3.0
   72    64    68    69   0.23400  1.0 3.0
   72    64    68    70   0.23400  1.0 3.0
   72    64    68    71   0.23400  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   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    57    47   0.44750  1.0 1.0
   38    33    57    47  -0.17800 -1.0 2.0
   38    33    57    47   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    60   0.44750  1.0 1.0
   38    33    57    60  -0.17800 -1.0 2.0
   38    33    57    60   0.20200  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    59   0.56750  1.0 1.0
   38    43    49    59  -0.07550 -1.0 2.0
   38    43    49    59   0.20000  1.0 3.0
   38    43    52    77   0.56750  1.0 1.0
   38    43    52    77  -0.07550 -1.0 2.0
   38    43    52    77   0.20000  1.0 3.0
   38    43    52    53   0.15000  1.0 3.0
   38    43    52    54   0.15000  1.0 3.0
   43    49    59    66   1.10250  1.0 1.0
   43    49    59    66   0.01650 -1.0 2.0
   43    49    59    66   0.39100  1.0 3.0
   43    49   -59    77   0.68100  1.0 1.0
   43    49   -59    77   0.03350 -1.0 2.0
   43    49   -59    77   0.36200  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    59   0.15000  1.0 3.0
   44    43    52    77   0.15000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   49    43   -52    77  -0.64600  1.0 1.0
   49    43   -52    77   0.58400 -1.0 2.0
   49    43    52    53   0.15000  1.0 3.0
   49    43    52    54   0.15000  1.0 3.0
   49    59    66    67   3.62500 -1.0 2.0
   49    59    66    74   3.62500 -1.0 2.0
   49    59    77    75   3.62500 -1.0 2.0
   49    59   -77    52   3.62500 -1.0 2.0
   50    49    59    66   0.00000  1.0 1.0
   50    49    59    77   0.00000  1.0 1.0
   51    49    59    66   0.00000  1.0 1.0
   51    49    59    77   0.00000  1.0 1.0
   59    66   -74    75   3.62500 -1.0 2.0
   59    77   -52    43   0.68100  1.0 1.0
   59    77   -52    43   0.03350 -1.0 2.0
   59    77   -52    43   0.36200  1.0 3.0
   59    77    52    53   0.00000  1.0 1.0
   59    77    52    54   0.00000  1.0 1.0
   66    59   -77    75   3.62500 -1.0 2.0
   66    59    77    52   3.62500 -1.0 2.0
   66    74    75    76   3.62500 -1.0 2.0
   66    74   -75    77   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   74    75   -77    59   3.62500 -1.0 2.0
   74    75    77    52   3.62500 -1.0 2.0
   75    77    52    43   1.10250  1.0 1.0
   75    77    52    43   0.01650 -1.0 2.0
   75    77    52    43   0.39100  1.0 3.0
   75    77    52    53   0.00000  1.0 1.0
   75    77    52    54   0.00000  1.0 1.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    52   3.62500 -1.0 2.0
   77    59    66    67   3.62500 -1.0 2.0
   77    59   -66    74   3.62500 -1.0 2.0
   52    43    49    50   0.15000  1.0 3.0
   52    43    49    51   0.15000  1.0 3.0
   52    43   -49    59  -0.64600  1.0 1.0
   52    43   -49    59   0.58400 -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
   47    45    39    37   1.00000 -1.0 2.0
   39    55    45    46  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   66    77    59    49   4.00000 -1.0 2.0
   74    67    66    59   1.10000 -1.0 2.0
   77    76    75    74   1.10000 -1.0 2.0
   75    52    77    59   4.00000 -1.0 2.0
END
