* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    195     380
    1     0 S   NP   _N1_     1    28.14151    93.88798   -24.45660
    2     1 S   H    _HN1     2     1.02777   105.84689  -116.18037
    3     1 S   H    _H1_     3     1.02956    94.62658    -5.62817
    4     1 S   H    _H2_     4     1.02836    14.55754   143.60641
    5     1 S   CT   _CA1     5     1.50146   123.46780   112.57115
    6     5 S   HC   _HA1     6     1.09576   105.18859    67.16594
    7     5 S   CO3  _C1_     7     1.53771   112.31720   -52.96795
    8     7 S   O2Z  _O11     8     1.26368   114.99122   -44.41624
    9     7 S   O2Z  _O12     9     1.26230   114.92230   134.53022
   10     5 S   CT   _CB1    10     1.53082   107.40359  -174.97360
   11    10 S   HC   HB11    11     1.09830   109.27691   -50.44196
   12    10 S   HC   HB12    12     1.09814   110.45660    66.09407
   13    10 S   CT   _CG1    13     1.53035   112.70614  -171.49910
   14    13 S   HC   HG11    14     1.09591   110.52221   -65.48636
   15    13 S   HC   HG12    15     1.09660   109.88962    53.72973
   16    13 S   C    _CD1    16     1.51858   112.23458   174.05601
   17    16 S   O    _OE1    17     1.22768   123.25771     2.42269
   18    16 S   N    _N2_    18     1.38566   111.79874  -177.51352
   19    18 S   H    _HN2    19     1.01558   119.11171     3.62785
   20    18 S   CT1  _CA2    20     1.45827   122.76917   177.59141
   21    20 S   HC   _HA2    21     1.09741   108.84241    26.11902
   22    20 S   C    _C2_    22     1.52986   107.03717   -90.83674
   23    22 S   O    _O2_    23     1.22977   123.09034   -26.65542
   24    20 S   CT   _CB2    32     1.53384   112.43271   149.32312
   25    24 S   HC   HB21    33     1.09519   109.66743    54.13602
   26    24 S   HC   HB22    34     1.09284   109.47677   172.85754
   27    22 S   N    _N3_    24     1.38513   112.54065   156.07136
   28    27 S   H    _HN3    25     1.01655   120.32974    -2.26598
   29    24 S   S    _SG2    35     1.82711   110.77437   -66.21536
   30    27 S   CT   _CA3    26     1.45351   122.50301   178.55396
   31    30 S   HC   HA31    27     1.09568   107.84956   -54.83571
   32    30 S   HC   HA32    28     1.09562   107.57656    61.50478
   33    29 S   CT   _C15    36     1.89939   102.93265  -171.71575
   34    30 S   CO3  _C3_    29     1.52892   114.31812  -176.77062
   35    34 S   O2Z  _O31    30     1.26337   116.06293    -0.08847
   36    34 S   O2Z  _O32    31     1.26435   114.41236   179.86878
   37    33 S   CT   _C13    37     1.57166   105.58063    72.59641
   38    37 S   HC   _H26    38     1.09841   109.92907    49.53429
   39    37 S   HC   _H27    39     1.09761   108.56851   -64.88919
   40    33 S   CT   _C14    61     1.59931   111.30104  -162.63507
   41    40 S   OM   _O16    62     1.32732   110.86014    51.01555
   42    40 S   HC   _H28    63     1.09492   104.33166   178.34223
   43    33 S   CT   _C18    68     1.55256   109.10169   -43.51124
   44    43 S   HC   _H35    69     1.09591   112.18427   -51.43880
   45    43 S   HC   _H36    70     1.09619   110.87671  -171.08562
   46    43 S   HC   _H37    71     1.09521   112.26496    70.17697
   47    37 S   CT   _C12    40     1.54409   118.32604   175.23630
   48    47 S   HC   _H24    41     1.09707   108.45388   160.11573
   49    47 S   HC   _H25    42     1.09146   110.37821    43.81066
   50    47 S   CM   _C8_    43     1.49679   110.53791   -82.57130
   51    50 S   HC   _H21    44     1.09076   113.84669   -51.00350
   52    50 S   CM   _C10    45     1.34562   127.88239   119.70014
   53    52 S   CT   _C11    46     1.51106   118.05550  -162.22206
   54    53 S   HC   _H22    47     1.09827   110.27710   -34.19263
   55    53 S   HC   _H23    48     1.09762   109.12924  -149.27343
   56    52 S   CT   _C17    64     1.50198   125.91880    10.93011
   57    56 S   HC   _H32    65     1.09532   109.81617   126.68316
   58    56 S   HC   _H33    66     1.09220   113.22228     7.35028
   59    56 S   HC   _H34    67     1.09462   110.63536  -113.95810
   60    53 S   C5A  _C7_    49     1.49738   114.07292    87.34708
   61    60 S   C5BC _C5_    50     1.39027   135.18897   -37.85946
   62    61 S   C5BC _C6_    51     1.43274   105.99974  -176.46177
   63    61 S   CO4  _C9_    59     1.46965   127.00182     0.92978
   64    63 S   O    _O17    60     1.22923   119.10306   -94.95530
   65    62 S   C5A  _C4_    52     1.37813   105.65368    -1.74552
   66    65 S   HA   _H20    53     1.08050   133.42171  -179.43525
   67    62 S   CT   _C16    55     1.48280   127.76666   178.62058
   68    67 S   HC   _H29    56     1.09451   111.15876   -34.31887
   69    67 S   HC   _H30    57     1.09438   110.35215    86.11993
   70    67 S   HC   _H31    58     1.09502   110.95813  -154.06935
   71    60 S   OA   _O18    54     1.36410   114.84546   144.13838
  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  13   5   4   3
  17   2   1   1  16   7   6  12   5   4   5   2   1   1   7   4
   3  10   3  10  12   5   4   4   2   1   1   8  10   9   4   1
   6   2   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    63    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    61    63    64    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    63    40    41    42    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    60    61    62    63    64  
   42    43    61    63    64  
   43    61    63    64  
   44    45    46    47    63  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    60    56    57    58    59  
   52    53    56  
   53    54    55    60    61    71    56    57    58    59  
   54    55    60    61    62    65    71    63    56    57    58    59  
   55    60    61    71    56  
   60    61    71    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    65    66    71    67    63    64  
   62    65    66    71    67    68    69    70    63    64  
   65    66    71    67    68    69    70    63    64  
   64    65    67    71  
    0  
   66    71    67    68    69    70  
   71    67  
   68    69    70    71  
   69    70  
   70  
    0  
    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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   295.000  1.489
   60    61   546.000  1.367
   60    71   340.000  1.360
   61    62   469.000  1.424
   61    63   320.000  1.468
   62    65   546.000  1.367
   62    67   285.000  1.502
   65    66   367.000  1.080
   65    71   340.000  1.360
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   570.000  1.229
   63    40   317.000  1.522
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    63    63.00000  111.10000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.02700
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    35.00000  117.00000
   47    50    52    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    56    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.40000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    50.00000  133.50000
   53    60    71    80.00000  116.10000
   55    53    54    33.00000  107.80000
   60    53    54    45.00000  110.47400
   60    53    55    45.00000  110.47400
   60    61    62    70.00000  107.30000
   60    61    63    60.00000  121.69000
   60    71    65    70.00000  106.50000
   61    62    65    70.00000  107.30000
   61    62    67    60.00000  130.00000
   61    63    64    80.00000  122.10000
   61    63    40    65.00000  115.47100
   62    65    66    35.00000  132.10000
   62    65    71    70.00000  110.60000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   71    60    61    70.00000  110.60000
   71    65    66    35.00000  113.40000
   67    62    65    60.00000  130.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    61    62    50.00000  131.05000
   63    40    41    90.00000  108.74100
   63    40    42    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    63    64    80.00000  120.40000
   42    40    41    45.00000  125.66300
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    63   0.56750  1.0 1.0
   29    33    40    63  -0.07550 -1.0 2.0
   29    33    40    63   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.34400  1.0 1.0
   33    37    47    50   0.09450 -1.0 2.0
   33    37    47    50   0.11100  1.0 3.0
   37    33    40    63  -0.95700  1.0 1.0
   37    33    40    63  -0.18200 -1.0 2.0
   37    33    40    63   0.29450  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.00000  1.0 1.0
   37    47    50    52   0.09850  1.0 1.0
   37    47    50    52   0.15250 -1.0 2.0
   37    47    50    52  -0.50650  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   7.00000 -1.0 2.0
   47    50    52    56   7.00000 -1.0 2.0
   48    47    50    51   0.33100  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.33100  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    60   1.44450  1.0 1.0
   50    52    53    60   0.06600 -1.0 2.0
   50    52    53    60   0.29250  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    58   0.00000  1.0 1.0
   50    52    56    59   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.18050 -1.0 2.0
   52    53    60    71   0.04300 -1.0 2.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    61    62   3.62500 -1.0 2.0
   53    60    61    63   3.62500 -1.0 2.0
   53    60    71    65   3.62500 -1.0 2.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    71   0.00000  1.0 1.0
   55    53    60    61   0.00000  1.0 1.0
   55    53    60    71   0.00000  1.0 1.0
   60    61   -62    65   3.62500 -1.0 2.0
   60    61    62    67   3.62500 -1.0 2.0
   60    61    63    64   1.05000 -1.0 2.0
   60    61    63    40   2.26350  1.0 1.0
   60    61    63    40   0.76750 -1.0 2.0
   60    61    63    40   0.22500  1.0 3.0
   61    60   -71    65   3.62500 -1.0 2.0
   61    62    65    66   3.62500 -1.0 2.0
   61    62   -65    71   3.62500 -1.0 2.0
   61    62    67    68   0.00000  1.0 1.0
   61    62    67    69   0.00000  1.0 1.0
   61    62    67    70   0.00000  1.0 1.0
   61    63    40    33   0.05850 -1.0 2.0
   61    63    40    33   0.17250  1.0 3.0
   61    63    40    41   0.65300  1.0 1.0
   61    63    40    41  -0.03850 -1.0 2.0
   61    63    40    41   0.33900  1.0 3.0
   61    63    40    42   0.00000  1.0 1.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    40   2.26350  1.0 1.0
   62    61    63    40   0.76750 -1.0 2.0
   62    61    63    40   0.22500  1.0 3.0
   62    65   -71    60   3.62500 -1.0 2.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    62    67    70   0.00000  1.0 1.0
   66    65    71    60   3.62500 -1.0 2.0
   71    60   -61    62   3.62500 -1.0 2.0
   71    60    61    63   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    71   3.62500 -1.0 2.0
   63    61    62    65   3.62500 -1.0 2.0
   63    61    62    67   3.62500 -1.0 2.0
   64    63    40    33   0.30150 -1.0 2.0
   64    63    40    41   0.30150 -1.0 2.0
   64    63    40    42   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.09700  1.0 1.0
   56    52    53    60   0.15600 -1.0 2.0
   56    52    53    60  -0.50800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    63  -0.95700  1.0 1.0
   43    33    40    63  -0.18200 -1.0 2.0
   43    33    40    63   0.29450  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   47    51    50    52   1.10000 -1.0 2.0
   53    56    52    50   1.10000 -1.0 2.0
   61    71    60    53   4.00000 -1.0 2.0
   62    63    61    60   4.00000 -1.0 2.0
   65    67    62    61   4.00000 -1.0 2.0
   71    66    65    62   1.10000 -1.0 2.0
   61    40    63    64  10.50000 -1.0 2.0
END
